SCHEMBL17099609

SCHEMBL17099609

Oc1ccc([C@@H]2CCC[C@H](c3ccc(O)nn3)C2)nn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.53
MIF P14174 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
ESR2 Q92731 1/20 0.32
CHRNA7 P36544 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL17099608 1.00 GLS (0.53) GLSMIFALOX5APFEN1ESR2
SCHEMBL17099607 0.92 GLS (0.44) GLS
SCHEMBL2547679 0.83 NOTUM (0.37) GLSMIFESR2PSMB8PSMB9
SCHEMBL18836898 0.82 GLS (0.40) GLS
SCHEMBL17115682 0.82 GLS (0.40) GLS
SCHEMBL17099610 0.76 GLS (0.49) GLS
SCHEMBL17099611 0.76 GLS (0.49) GLS
SCHEMBL17099612 0.76 GLS (0.49) GLS
SCHEMBL17115617 0.76 GLS (0.53) GLSPSMB8PSMB9PSMB5
SCHEMBL17115626 0.76 GLS (0.49) GLSCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119199-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
US-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
EP-3119199-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2017-01-25 EP disclosed
WO-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
WO-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 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 (2 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-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885MIF 4304/4885ALOX5AP 3061/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885MIF 4304/4885ALOX5AP 3061/4885

“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.