SCHEMBL1017292

SCHEMBL1017292

CC(O)CS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.53
CA12 O43570 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
CA1 P00915 5/20 0.48
CA14 Q9ULX7 4/20 0.48
CA3 P07451 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ABCC2 Q92887 1/20 0.46
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL1253808 1.00 TSHR (0.53) TSHRHSD17B10TAS2R14CA12CA2
SCHEMBL1017290 1.00 TSHR (0.53) TSHRHSD17B10TAS2R14CA12CA2
SCHEMBL2592148 0.87 TAS2R14 (0.58) TSHRHSD17B10TAS2R14CA12CA2
Isophthalic Acid SCHEMBL28137487 0.82 HSD11B1 (0.45) TSHRHSD17B10CA2CA1CYP2C19
SCHEMBL1018908 0.81 CA12 (0.51) CA12CA2CA9CA1CA14
SCHEMBL1254156 0.81 CA12 (0.51) CA12CA2CA9CA1CA14
SCHEMBL1018907 0.81 CA12 (0.51) CA12CA2CA9CA1CA14
SCHEMBL9426107 0.81 PSIP1 (0.56) TSHRHSD17B10CYP2C19SMN1; SMN2KMT2A
SCHEMBL7724605 0.81 PSIP1 (0.56) TSHRHSD17B10CYP2C19SMN1; SMN2KMT2A
SCHEMBL23277126 0.79 ALDH1A1 (0.56) CA2CA1CYP2C19RAB9ASMN1; SMN2

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 23 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
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-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 453/4885HSD17B10 4504/4885TAS2R14 2729/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885TAS2R14 2631/4885

“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.