SCHEMBL15710064

SCHEMBL15710064

Cc1cccc(CC2OC=CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 4/20 0.42
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.39
DAO P14920 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL29911007 0.79 TAAR1 (0.44) TAAR1IDO1ALDH1A1POLBHRH3
SCHEMBL10350805 0.77 TAAR1 (0.46) TAAR1IDO1ALDH1A1ACHEPOLB
SCHEMBL28337641 0.77 TAAR1 (0.46) TAAR1IDO1ALDH1A1ACHEPOLB
SCHEMBL56215 0.74 TAAR1 (0.41) TAAR1MAOB
SCHEMBL23886405 0.72 TAAR1 (0.48) TAAR1IDO1ALDH1A1POLBHRH3
SCHEMBL30000562 0.69 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHEDAO
SCHEMBL1263547 0.69 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHEDAO
SCHEMBL8096473 0.69 TAAR1 (0.74) TAAR1IDO1ACHEDAOHRH3
SCHEMBL29459538 0.69 TAAR1 (0.60) TAAR1IDO1ALDH1A1ACHEDAO
SCHEMBL29596752 0.69 TAAR1 (0.74) TAAR1IDO1ACHEDAOHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2018-12-27 US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
EP-2922832-A1 GLUTAMASE INHIBITORS AND METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2015-09-30 EP disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 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 (5 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TAAR1 4666/4885IDO1 2093/4885ALDH1A1 553/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TAAR1 4666/4885IDO1 2093/4885ALDH1A1 553/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL TAAR1 4692/4885IDO1 1760/4885ALDH1A1 706/4885
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL TAAR1 4666/4885IDO1 2093/4885ALDH1A1 553/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL TAAR1 4789/4885IDO1 2680/4885ALDH1A1 444/4885

“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.