SCHEMBL335277

SCHEMBL335277

CS(=O)(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
HSD17B10 Q99714 1/20 0.54
AKR1B1 P15121 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
GLS O94925 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
DRD2 P14416 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL3468833 0.86 AKR1B1 (0.47) ALDH1A1GAAHSD17B10AKR1B1CYP1A2
SCHEMBL12984975 0.86 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL48506 0.86 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL167735 0.84 PSIP1 (0.52) ALDH1A1GAAHSD17B10AKR1B1CYP1A2
SCHEMBL8930343 0.84 AKR1B1 (0.52) ALDH1A1GAAHSD17B10AKR1B1CYP1A2
SCHEMBL13667982 0.83 KEAP1 (0.53) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL4137892 0.82 AKR1B1 (0.50) ALDH1A1GAAHSD17B10AKR1B1CYP1A2
SCHEMBL14033126 0.82 HTR6 (0.60) GAAAKR1B1CYP1A2CYP2C19PTGDR2
SCHEMBL4026429 0.82 CA1 (0.55) GAAHSD17B10AKR1B1CYP1A2CYP2C19
SCHEMBL353553 0.81 GLS (0.52) ALDH1A1GAAHSD17B10GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227501-B2 3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as CSNK1 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2025-02-18 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
CN-116490499-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2023-07-25 CN disclosed
EP-4204411-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN Nalo Therapeutics (US) 2023-07-05 EP disclosed
CN-116023375-A Heterocyclic derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2023-04-28 CN disclosed
US-20230046077-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-16 US disclosed
US-20220306630-A1 AGONISTS OF ROR GAMMAt BRISTOL MYERS SQUIBB CO (US) 2022-09-29 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2006001751-A1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2006-01-05 WO disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 WO disclosed
EP-1558607-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-03 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (7 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 ALDH1A1 2638/4885GAA 554/4885HSD17B10 2615/4885
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH ALDH1A1 4771/4885GAA 1294/4885HSD17B10 3750/4885
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 ALDH1A1 4413/4885GAA 1724/4885HSD17B10 3755/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 ALDH1A1 4067/4885GAA 3261/4885HSD17B10 3996/4885
US-20230046077-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS CSNK1A1, CSNK1G1, CSNK1E ALDH1A1 2154/4885GAA 1002/4885HSD17B10 2077/4885
US-20220306630-A1 AGONISTS OF ROR GAMMAt RORB, RORA, RORC ALDH1A1 331/4885GAA 1245/4885HSD17B10 539/4885
US-12227501-B2 3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as CSNK1 inhibitors CSNK1A1, CSNK1G1, CSNK1E ALDH1A1 2154/4885GAA 1002/4885HSD17B10 2077/4885

“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.