SCHEMBL17803293

SCHEMBL17803293

COc1ccc(COC2CC[C@@H]3C(O)CC[C@H]23)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
NAAA Q02083 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
KCNA5 P22460 1/20 0.39
CALM1 P0DP23 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
SCHEMBL22006159 1.00 REN (0.43) RENIDO1AGXTNAAANPC1
SCHEMBL31756570 0.81 PDE4D (0.42)
SCHEMBL23715175 0.75 IDO1 (0.42) RENIDO1AGXTNAAANPC1
SCHEMBL23704839 0.75 IDO1 (0.42) RENIDO1AGXTNAAANPC1
SCHEMBL30471210 0.74 REN (0.42) RENIDO1AGXTNAAASMN1; SMN2
SCHEMBL22006160 0.74 REN (0.44) RENIDO1AGXTNAAAKCNA5
SCHEMBL17803300 0.74 REN (0.44) RENIDO1AGXTNAAAKCNA5
SCHEMBL14180088 0.73 TACR1 (0.48) KCNA5
SCHEMBL24597253 0.73 IDO1 (0.50) RENIDO1AGXTNAAAKCNA5
SCHEMBL16821015 0.71 REN (0.50) RENIDO1AGXTNAAASMN1; SMN2

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-3226690-B1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-05-20 EP disclosed
US-10086000-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3226690-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
EP-3226689-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
WO-2016089833-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089830-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089833-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089830-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 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-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 REN 1913/4885IDO1 550/4885AGXT 190/4885
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 REN 1800/4885IDO1 438/4885AGXT 214/4885
US-10086000-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH3B, IDH2 REN 1764/4885IDO1 363/4885AGXT 275/4885

“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.