SCHEMBL2036620

SCHEMBL2036620

CCCCNC(=O)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.73
GAA P10253 1/20 0.72
ATM Q13315 1/20 0.70
TRPV1 Q8NER1 3/20 0.68
ALDH1A1 P00352 2/20 0.62
CNR2 P34972 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CNR1 P21554 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
POLB P06746 1/20 0.57
KCNH2 Q12809 1/20 0.57
DRD3 P35462 1/20 0.56

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
SCHEMBL1516136 0.95 HPGD (0.71) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL28082736 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL28082834 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL28082801 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL4585546 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL8197547 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL4585892 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL3994188 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL9321740 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL8210207 0.93 TRPV1 (0.73) HPGDGAAATMTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2023-06-08 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
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN 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-20210238565-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-08-05 US disclosed
US-11015180-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2021-05-25 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US disclosed
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
US-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 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 (6 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 HPGD 365/4885GAA 2713/4885ATM 284/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 HPGD 253/4885GAA 3274/4885ATM 284/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 HPGD 365/4885GAA 2713/4885ATM 284/4885
US-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY SPECC1L, CCL5, CCR5 HPGD 717/4885GAA 2710/4885ATM 1377/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HPGD 2278/4885GAA 2581/4885ATM 2486/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS HPGD 2278/4885GAA 2581/4885ATM 2486/4885

“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.