SCHEMBL1018690

SCHEMBL1018690

CCCS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
ABCC2 Q92887 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
UGT1A7 Q9HAW7 1/20 0.57
SLC22A11 Q9NSA0 1/20 0.57
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CA1 P00915 3/20 0.52
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL27317432 0.87 THRA (0.61) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL7825230 0.86 THRA (0.63) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL6743613 0.86 THRA (0.63) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL1403608 0.86 TSHR (0.61) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL20796169 0.85 ALDH1A1 (0.52) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL2027641 0.83 CA2 (0.55) CA12CA2CA9SMN1; SMN2CA1
SCHEMBL6852273 0.83 ALDH1A1 (0.48) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL16225260 0.83 THRA (0.52) SMN1; SMN2ALDH1A1KMT2ATHRATHRB
SCHEMBL1018318 0.82 CA2 (0.60) CA12CA2CA9RAB9ASMN1; SMN2
SCHEMBL7869978 0.81 HTT (0.62) CA12CA2CA9TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
EP-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-10556892-B2 Piperazinyl methanone NAAA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-11 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-06-13 US disclosed
EP-3458447-A1 PIPERAZINYL METHANONE NAAA INHIBITORS The Regents of The University of California (US) 2019-03-27 EP disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 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
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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
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
EP-0470103-B1 PROCESS FOR THE PRODUCTION OF ALKANE SULPHONYL BENZOIC ACIDS HOECHST AG (DE) 1994-07-27 EP 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 (11 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS NAAA, NAA15, NAA50 CA12 4355/4885CA2 2876/4885CA9 3762/4885
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR CA12 4659/4885CA2 1640/4885CA9 3088/4885
US-10556892-B2 Piperazinyl methanone NAAA inhibitors NAAA, NAA50, NAA15 CA12 4368/4885CA2 2959/4885CA9 3903/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4756/4885CA2 3954/4885CA9 3896/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA12 4708/4885CA2 3856/4885CA9 3829/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 CA12 4263/4885CA2 213/4885CA9 3106/4885

“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.