SCHEMBL1018873

SCHEMBL1018873

COCCSc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HTT P42858 2/20 0.45
PLA2G2A P14555 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 1/20 0.44
PLA2G4A P47712 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL3645935 0.92 RAB9A (0.49) CA1CA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL12636218 0.85 HPGD (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL11306459 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4414189 0.84 MAPT (0.55) CA1CA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL1017821 0.81 HTT (0.51) CA1CA2ALDH1A1SMN1; SMN2HTT
SCHEMBL11719272 0.80 PKM (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1018288 0.79 CA2 (0.52) CA1CA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6477081 0.78 THRA (0.54) HTTPLA2G2ATP53TSHRPLA2G4B
SCHEMBL1026423 0.77 NPC1 (0.46) CA1CA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2914385 0.77 TSHR (0.48) CA1CA2ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206335-B KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2025-03-11 CN disclosed
EP-4446314-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2024-10-16 EP disclosed
EP-3962479-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2024-07-24 EP disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 US disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 US disclosed
CN-114206335-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-03-18 CN disclosed
EP-3962479-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20110065717-A1 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2011-03-17 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
EP-2188257-A2 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS Cadila Healthcare Limited (IN) 2010-05-26 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
WO-2009053999-A2 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-04-30 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CA1 1505/4885CA2 624/4885ALDH1A1 2052/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885ALDH1A1 2407/4885
US-20110065717-A1 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F12, F2 CA1 2870/4885CA2 3550/4885ALDH1A1 2284/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4482/4885CA2 3954/4885ALDH1A1 2371/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885ALDH1A1 2407/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885ALDH1A1 2407/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885ALDH1A1 2407/4885

“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.