SCHEMBL2669800

SCHEMBL2669800

Cc1ccc(C(=O)NCCS(=O)(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
USP2 O75604 1/20 0.56
NPC1 O15118 7/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MMP13 P45452 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL22193343 0.87 NPC1 (0.55) LMNAPOLBL3MBTL1USP2NPC1
SCHEMBL24052293 0.86 CA2 (0.50) LMNAPOLBL3MBTL1NPC1RAB9A
SCHEMBL10282273 0.86 LMNA (0.62) LMNAPOLBL3MBTL1USP2NPC1
SCHEMBL24051577 0.83 HDAC3 (0.58) LMNAPOLBL3MBTL1NPC1RAB9A
SCHEMBL15601831 0.83 PLK1 (0.54) LMNAPOLBL3MBTL1NPC1RAB9A
SCHEMBL11220601 0.83 LMNA (0.85) LMNAPOLBL3MBTL1USP2NPC1
SCHEMBL12040903 0.83 KDM4E (0.54) LMNAPOLBKMT2AALDH1A1
SCHEMBL20119238 0.83 CYP1A2 (0.55)
SCHEMBL5709109 0.82 L3MBTL1 (0.60) LMNAPOLBL3MBTL1NPC1RAB9A
SCHEMBL15044687 0.82 MMP13 (0.57) LMNAPOLBL3MBTL1USP2NPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 US disclosed
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
EP-3153501-A1 GLUCAGON ANTAGONISTS Metabasis Therapeutics, Inc. (US) 2017-04-12 EP disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20080234283-A1 Glutathione peroxidase mimetics for treatment of neurodegenerative, pulmonary and inflammatory diseases RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2008-09-25 US disclosed
US-20080207679-A1 Glutathione peroxidase mimetics for the treatment of dermatoses BERKOWITZ NOAH 2008-08-28 US disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO 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 (9 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR LMNA 3510/4885POLB 4750/4885L3MBTL1 1598/4885
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY FABP7, PYGB, ATP6V1B2 LMNA 2319/4885POLB 3810/4885L3MBTL1 2067/4885
US-20080234283-A1 Glutathione peroxidase mimetics for treatment of neurodegenerative, pulmonary and inflammatory diseases GPX1, GPX4, MPO LMNA 4341/4885POLB 2021/4885L3MBTL1 1839/4885
US-20080207679-A1 Glutathione peroxidase mimetics for the treatment of dermatoses GPX1, GPX4, GGT1 LMNA 4682/4885POLB 1336/4885L3MBTL1 2829/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 LMNA 2993/4885POLB 4502/4885L3MBTL1 3991/4885
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS HTT, SNCA, NLN LMNA 1872/4885POLB 2336/4885L3MBTL1 1844/4885
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION CRH, PYGB, CHAT LMNA 3931/4885POLB 3055/4885L3MBTL1 766/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 LMNA 4211/4885POLB 3868/4885L3MBTL1 4819/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 LMNA 4211/4885POLB 3868/4885L3MBTL1 4819/4885

“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.