SCHEMBL1018533

SCHEMBL1018533

C=CCS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CA2 P00918 9/20 0.50
CA12 O43570 8/20 0.50
CA9 Q16790 8/20 0.50
CA1 P00915 7/20 0.50
CA14 Q9ULX7 5/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL27547596 0.81 LCK (0.52) TSHRHSD17B10CA2CA12CA9
Bicarbonate SCHEMBL27808442 0.80 CTSK (0.53) HSD17B10CA2CA12CA9CA1
SCHEMBL8520680 0.80 CYP2C19 (0.50) TSHRCA2CA1CYP2C19ALDH1A1
SCHEMBL18275133 0.79 ALDH1A1 (0.46) TSHRHSD17B10CA2CA1ALDH1A1
SCHEMBL10524502 0.79 CA2 (0.52) CA2CA12CA9CA1CA7
SCHEMBL6263673 0.78 LMNA (0.38) TSHRHSD17B10CA2ALDH1A1KMT2A
SCHEMBL11333859 0.78 ALDH1A1 (0.53) TSHRHSD17B10CA2CA12CA9
SCHEMBL27943535 0.78 TSHR (0.47) TSHRHSD17B10CA2CA12CA9
SCHEMBL140625 0.78 PSIP1 (0.54) TSHRHSD17B10CA2CA12CA9
Benzene SCHEMBL28057885 0.78 PSIP1 (0.54) TSHRHSD17B10CA2CA12CA9

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 24 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
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
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 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 4521/4885CA2 3856/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 453/4885HSD17B10 4504/4885CA2 3954/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists FSHR, GNRHR, LHCGR TSHR 29/4885HSD17B10 563/4885CA2 455/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TSHR 421/4885HSD17B10 4521/4885CA2 3856/4885

“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.