SCHEMBL1018442

SCHEMBL1018442

O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
KIF11 P52732 1/20 0.49
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL10734946 0.83 KIF11 (0.49) CA1CA2CA12CA9CA14
SCHEMBL18513397 0.82 PTPN1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL6000396 0.82 PTGES (0.51) ALDH1A1SRD5A2
SCHEMBL4537301 0.82 KIF11 (0.47) CA1CA2CA12CA9CA14
SCHEMBL2788803 0.82 CA2 (0.59) CA1CA2CA12CA9CA14
SCHEMBL29115354 0.82 KMT2A (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL2717809 0.81 CA2 (0.57) CA1CA2CA12CA9CA14
Terephthalic Acid SCHEMBL28830275 0.80 TSHR (0.57) CA1CA2CA12CA9CA14
SCHEMBL25262730 0.80 CA2 (0.52) CA1CA2CA12CA9CA14
SCHEMBL732949 0.79 LCK (0.57) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000000467-A1 METHOD FOR PREPARING AROMATIC PERFLUOROALKYL SULFONE DERIVATIVES RHODIA CHIMIE (FR) 2000-01-06 WO claimed
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
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN 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
CN-111548269-B Preparation method of diaryl methane structural compound 兰州大学 2023-10-27 CN disclosed
US-20230341777-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION CONTAINING TERMINAL-BLOCKED REACTION PRODUCT NISSAN CHEMICAL CORPORATION (JP) 2023-10-26 US disclosed
US-20230296984-A1 EUV RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-09-21 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 WO 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
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN 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
WO-2000000467-A1 METHOD FOR PREPARING AROMATIC PERFLUOROALKYL SULFONE DERIVATIVES RHODIA CHIMIE (FR) 2000-01-06 WO disclosed
US-4914123-A Acyloxythiophene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 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 (4 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA12 4708/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4482/4885CA2 3954/4885CA12 4756/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA12 4708/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA12 4708/4885

“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.