SCHEMBL1017894

SCHEMBL1017894

CCSc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
MYC P01106 2/20 0.49
NR4A1 P22736 1/20 0.49
THRB P10828 5/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
RAB9A P51151 1/20 0.39
ERCC5 P28715 1/20 0.39

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
SCHEMBL17142579 0.82 ABL1 (0.47) TSHRTHRBALDH1A1KDM4EMEN1
SCHEMBL1018997 0.81 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL1018327 0.81 TSHR (0.46) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL1252961 0.81 TSHR (0.46) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL1015540 0.81 TSHR (0.46) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL1017465 0.81 TSHR (0.46) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL5724426 0.81 ALDH1A1 (0.50) SMN1; SMN2TSHRMYCALDH1A1KDM4E
SCHEMBL3146682 0.80 MCL1 (0.59) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL1019110 0.79 THRB (0.48) SMN1; SMN2TSHRCASP1MYCNR4A1
SCHEMBL11768114 0.77 ALDH1A1 (0.54) SMN1; SMN2TSHRALDH1A1KDM4EMEN1

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 52 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-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 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
EP-3126337-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 EP disclosed
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992405-A ESPECIALLY FOR DYEING POLYACRYLIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3971807-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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 (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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS TNK1, TNNI3K, TNKS SMN1; SMN2 2066/4885TSHR 1658/4885CASP1 746/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4106/4885TSHR 453/4885CASP1 2694/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885

“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.