SCHEMBL5021152

SCHEMBL5021152

C[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PIN1 Q13526 1/20 0.45

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
SCHEMBL3269193 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31068390 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13452269 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29952701 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15382522 0.88 CASP3 (0.55) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15929330 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14581384 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29445597 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL2625076 0.86 KMT2A (0.58) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31453048 0.86 CASP3 (0.53) CASP3KMT2AEPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252057-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2017-12-06 — — EP disclosed
EP-2507245-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2017-04-12 — — EP disclosed
US-9351954-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-31 — — US disclosed
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PGI DRUG DISCOVERY LLC. 2016-03-24 — — US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 — — US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 — — US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 — — US disclosed
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 — — US disclosed
US-20100168443-A1 Ethoid-Containing Compounds, Methods for Preparing Ethoid-Containing Compounds, and Methods of Use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-07-01 — — US disclosed
WO-2010034028-A1 PEPTIDOMIMETIC MARCROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-03-25 — — WO disclosed
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 — — WO disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 — — US disclosed
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 — — US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 — — US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 — — EP 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 (7 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 CASP3 1289/4885KMT2A 964/4885EPHX2 3684/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CASP3 1026/4885KMT2A 4189/4885EPHX2 3191/4885
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof GRIN2C, NLN, COMT CASP3 821/4885KMT2A 2379/4885EPHX2 671/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CASP3 821/4885KMT2A 2379/4885EPHX2 671/4885
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT CASP3 821/4885KMT2A 2379/4885EPHX2 671/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CASP3 1082/4885KMT2A 1569/4885EPHX2 4321/4885
US-20100168443-A1 Ethoid-Containing Compounds, Methods for Preparing Ethoid-Containing Compounds, and Methods of Use PARG, POLH, PHOSPHO1 CASP3 3633/4885KMT2A 1221/4885EPHX2 97/4885

“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