SCHEMBL2494620

SCHEMBL2494620

COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.60
ITGA2B P08514 1/20 0.60
ABCB1 P08183 2/20 0.53
LDHA P00338 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ATM Q13315 1/20 0.50
P2RX7 Q99572 1/20 0.48
ACHE P22303 1/20 0.46
KMT2A Q03164 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
MAOB P27338 1/20 0.44
FPR2 P25090 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL10441796 1.00 ITGB3 (0.60) ITGB3ITGA2BABCB1LDHAPPARG
SCHEMBL14493013 1.00 ITGB3 (0.60) ITGB3ITGA2BABCB1LDHAPPARG
SCHEMBL2494968 0.91 ITGB3 (0.59) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL31739224 0.91 ITGB3 (0.59) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL8067076 0.91 ITGB3 (0.59) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL2968658 0.91 ITGB3 (0.59) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL10790060 0.90 ITGB3 (0.66) ITGB3ITGA2BABCB1PPARGPPARA
SCHEMBL26654521 0.90 ITGB3 (0.58) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL26654515 0.90 ITGB3 (0.58) ITGB3ITGA2BABCB1P2RX7KMT2A
SCHEMBL6378199 0.88 ITGB3 (0.58) ITGB3ITGA2BABCB1PPARGPPARA

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
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
EP-1613338-A4 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2009-06-24 EP disclosed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
EP-1613338-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING Joullie, Madeleine M. (US) 2006-01-11 EP disclosed
WO-2004084812-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2004-10-07 WO disclosed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 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-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, PML, APLNR ITGB3 3676/4885ITGA2B 3316/4885ABCB1 2760/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS ITGB3 4341/4885ITGA2B 3677/4885ABCB1 2724/4885
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 ITGB3 2651/4885ITGA2B 3010/4885ABCB1 2789/4885

“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.