SCHEMBL15725103

SCHEMBL15725103

CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)CC)s3)C2)s1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 9/20 0.65
▸ ALDH1A1 P00352 6/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ TSHR P16473 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ TP53 P04637 1/20 0.53

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
SCHEMBL20828251 1.00 GLS (0.65) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725013 1.00 GLS (0.65) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15709890 0.92 GLS (0.58) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725101 0.89 ALDH1A1 (0.64) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725005 0.89 ALDH1A1 (0.64) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725037 0.85 GLS (0.61) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20825378 0.85 ALDH1A1 (0.62) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725040 0.85 GLS (0.61) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725109 0.84 ALDH1A1 (0.75) GLSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15725018 0.84 ALDH1A1 (0.75) GLSALDH1A1NPC1RAB9ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689375-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-03-21 — — US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 — — EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 — — US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 — — US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — US disclosed
US-20140142081-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 (4 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 196/4885NPC1 2093/4885
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885NPC1 2709/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885NPC1 2709/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885NPC1 2709/4885

“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.

Send feedback