SCHEMBL2064966

SCHEMBL2064966

CCc1cc(C(=O)O)sc1C=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GPR35 Q9HC97 4/20 0.38
BCL2L1 Q07817 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL26739353 0.80 DAO (0.37) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL2064339 0.77 DAO (0.59) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL16755838 0.75 DAO (0.61) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL27760644 0.75 DAO (0.45) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL4987918 0.73 DAO (0.44) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL3887912 0.73 DAO (0.41) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL27845494 0.72 CYP2A6 (0.36) ALDH1A1MEN1KMT2AMAPT
SCHEMBL16755964 0.70 GPR35 (0.43) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL26740078 0.69 DAO (0.37) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL12271839 0.69 L3MBTL1 (0.42) DAOALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289727-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-15 US disclosed
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114258392-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-03-29 CN disclosed
WO-2021032935-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032938-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032938-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032935-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO disclosed
US-4996227-A Administering nontoxic antitumor agents UNIVERSITY OF CINCINNATI (US) 1991-02-26 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 (2 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 DAO 4564/4885ALDH1A1 1141/4885MEN1 1461/4885
US-20220289727-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA DAO 245/4885ALDH1A1 237/4885MEN1 1698/4885

“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.