SCHEMBL15709727

SCHEMBL15709727

CCOC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PPARG P37231 3/20 0.58
PPARA Q07869 1/20 0.58
CYP17A1 P05093 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PPID Q08752 1/20 0.47
KLK7 P49862 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
GLS O94925 1/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3173008 0.91 PPARG (0.53) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL15538944 0.87 SMN1; SMN2 (0.59) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL12872176 0.87 PPARG (0.54) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL7972075 0.86 CYP4F2 (0.56) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL3004723 0.85 MAPT (0.53) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL3004728 0.85 MAPT (0.53) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL29142984 0.84 L3MBTL1 (0.59) MAPTSMN1; SMN2PPARGPPARACYP17A1
SCHEMBL28306385 0.84 PPARG (0.49) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL6371460 0.84 LMNA (0.48) LMNAMAPTSMN1; SMN2PPARGPPARA
SCHEMBL8786889 0.83 MAPT (0.51) LMNAMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109879805-B Preparation method of apatinib 苏州富士莱医药股份有限公司 2020-08-07 CN disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
CN-108727307-A Compound and its application method 安吉奥斯医药品有限公司 2018-11-02 CN disclosed
US-10087172-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
CN-104936954-B Compounds and methods of use thereof 安吉奥斯医药品有限公司 2018-08-14 CN disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP 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
EP-2922850-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2015-09-30 EP disclosed
CN-104936954-A compounds and methods of use thereof AGIOS PHARMACEUTICALS INC 2015-09-23 CN 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
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF 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 (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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL LMNA 3690/4885MAPT 3239/4885SMN1; SMN2 3742/4885
US-10087172-B2 Compounds and their methods of use GLS, GLS2, GLUL LMNA 3690/4885MAPT 3239/4885SMN1; SMN2 3742/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL LMNA 3478/4885MAPT 3597/4885SMN1; SMN2 3566/4885

“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.