SCHEMBL465122

SCHEMBL465122

CCCc1ccc(CBr)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
ALOX5 P09917 1/20 0.46
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.42
CYP19A1 P11511 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6376593 0.87 GABRA1 (0.53) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL17527230 0.85 ALOX5 (0.48) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL3782409 0.85 CA2 (0.47) ATMKDM4EALDH1A1CYP19A1TSHR
SCHEMBL30147378 0.85 CA2 (0.47) ATMKDM4EALDH1A1CYP19A1TSHR
SCHEMBL11842974 0.83 CA2 (0.61) ATMALDH1A1POLBTSHRMAPK1
SCHEMBL2563443 0.82 GABRA1 (0.46) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL465047 0.82 GABRA1 (0.49) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL465088 0.82 GABRA1 (0.46) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL16638886 0.82 KDM4E (0.53) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL27002044 0.81 KDM4E (0.61) ATMKDM4ECYP3A4TSHRMAPK1

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
CN-107253903-B Process for preparing a compound capable of binding to the S1P receptor and intermediates thereof 北京海步医药科技股份有限公司 2020-11-24 CN disclosed
EP-2592066-B1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2014-12-03 EP disclosed
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-1826197-B1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-18 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 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 (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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 GABRA1 1147/4885GABRB2 2137/4885ALOX5 30/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 GABRA1 1147/4885GABRB2 2137/4885ALOX5 30/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 GABRA1 1147/4885GABRB2 2137/4885ALOX5 30/4885

“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.