SCHEMBL5320828

SCHEMBL5320828

COc1ccc(CC(=O)O)cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CA5A P35218 1/20 0.55
S1PR1 P21453 2/20 0.50
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
HSD17B10 Q99714 1/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 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
SCHEMBL2728844 0.91 GAA (0.62) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL31432862 0.88 ALDH1A1 (0.56) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL29180205 0.87 RXRA (0.55) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5739424 0.86 ALDH1A1 (0.55) GAAALDH1A1S1PR1KDM4EUSP2
SCHEMBL20349602 0.82 ALDH1A1 (0.48) GAAALDH1A1S1PR1KDM4EUSP2
SCHEMBL5752969 0.82 ALDH1A1 (0.51) GAAALDH1A1KDM4EUSP2
SCHEMBL7670516 0.80 ALDH1A1 (0.56) ALDH1A1S1PR1KDM4EUSP2IMPDH2
SCHEMBL4504936 0.80 AR (0.58) ALDH1A1TSHRNFKB1KDM4EUSP2
SCHEMBL29805087 0.80 AR (0.58) ALDH1A1TSHRNFKB1KDM4EUSP2
SCHEMBL10781855 0.80 ALDH1A1 (0.55) ALDH1A1S1PR1KDM4EUSP2HSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 EP disclosed
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 US disclosed
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 WO disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
EP-1644362-A2 INDOLINONE HYDRAZIDES AS C-MET INHIBITORS Sugen, Inc. (US) 2006-04-12 EP disclosed
US-20060009493-A1 Indolinone hydrazides as c-Met inhibitors SUGEN, INC. 2006-01-12 US disclosed
WO-2005005378-A2 INDOLINONE HYDRAZIDES AS C-MET INHIBITORS SUGEN, INC. (US) 2005-01-20 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 (3 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 GAA 1160/4885ALDH1A1 250/4885TSHR 1063/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 GAA 1160/4885ALDH1A1 250/4885TSHR 1063/4885
US-20060009493-A1 Indolinone hydrazides as c-Met inhibitors MET, IGF1R, ROS1 GAA 3630/4885ALDH1A1 143/4885TSHR 1295/4885

“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.