SCHEMBL855231

SCHEMBL855231

CC(C)(C)S(=O)(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
PKM P14618 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL229283 0.75
SCHEMBL1336037 0.74 LOX (0.60) PKMCYP2C9CYP2C19CYP2D6F2
SCHEMBL711085 0.74 CYP2D6 (0.56) L3MBTL1CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL329263 0.72
Hydrochloric Acid SCHEMBL28533417 0.72 LOX (0.58) PKMCYP2C9CYP2C19CYP2D6F2
SCHEMBL6206253 0.71 MMP1 (0.46) MMP1MMP9MMP13PKMCYP2C9
SCHEMBL9629281 0.71
SCHEMBL878312 0.71 CYP2D6 (0.53) PKMCYP2C9CYP2C19CYP2D6F2
SCHEMBL9811942 0.71 F2 (0.46) MMP1MMP9MMP13PKMCYP2C9
SCHEMBL10616077 0.71 ALDH1A1 (0.49) PKMCYP2C9CYP2C19CYP2D6F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 L3MBTL1 1759/4885MMP1 4747/4885MMP9 3870/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS L3MBTL1 1677/4885MMP1 2662/4885MMP9 3658/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 L3MBTL1 4204/4885MMP1 743/4885MMP9 730/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 L3MBTL1 4204/4885MMP1 743/4885MMP9 730/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 L3MBTL1 250/4885MMP1 1675/4885MMP9 1492/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 L3MBTL1 4242/4885MMP1 3682/4885MMP9 1778/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS L3MBTL1 1677/4885MMP1 2662/4885MMP9 3658/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS L3MBTL1 1677/4885MMP1 2662/4885MMP9 3658/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS L3MBTL1 1677/4885MMP1 2662/4885MMP9 3658/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS L3MBTL1 1677/4885MMP1 2662/4885MMP9 3658/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B L3MBTL1 194/4885MMP1 2915/4885MMP9 3736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.