SCHEMBL1829604

SCHEMBL1829604

CCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
KMT2A Q03164 2/20 0.48
CASP3 P42574 2/20 0.46
EPHX2 P34913 1/20 0.45
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1829602 1.00 FABP5 (0.50) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL6377107 0.86 KMT2A (0.45) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL2401697 0.86 KMT2A (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL1162471 0.85 KMT2A (0.55) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL31756603 0.85 CYP1A2 (0.53) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL9660107 0.85 CYP1A2 (0.53) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29616789 0.85 TLR2 (0.47) FABP5FABP7KMT2ACASP3
SCHEMBL28601865 0.84 TLR2 (0.48) FABP5FABP7KMT2ACASP3
SCHEMBL2684540 0.84 FABP5 (0.49) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL2684535 0.84 FABP5 (0.49) FABP5FABP7KMT2ACASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-7053214-B2 β-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2006-05-30 US disclosed
US-20060084653-A1 Beta-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INCORPORATED (US) 2006-04-20 US disclosed
EP-1482941-A4 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS INC (US) 2006-04-12 EP disclosed
EP-1482941-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO Myriad Pharmaceuticals, Inc. (US) 2004-12-08 EP disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
WO-2003068237-A1 BETA-SHEET MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2003-08-21 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 (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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 FABP5 2484/4885FABP7 1923/4885KMT2A 4490/4885
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 FABP5 236/4885FABP7 419/4885KMT2A 4788/4885
US-20060084653-A1 Beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 FABP5 3977/4885FABP7 2594/4885KMT2A 4217/4885

“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.