SCHEMBL687167

SCHEMBL687167

CCOc1cc(OCC)cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4c(Cl)cccc4OCC)c2=O)CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.32
KDM4E B2RXH2 4/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ACACB O00763 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30

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
SCHEMBL686618 0.96 KMT2A (0.37) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686719 0.93 MEN1 (0.38) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL688414 0.93 KMT2A (0.37) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686692 0.92 SMN1; SMN2 (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686619 0.91 KMT2A (0.35) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL687480 0.91 CTSA (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL688603 0.91 KMT2A (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL688359 0.90 KMT2A (0.35) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686894 0.90 FFAR1 (0.38) KMT2AMEN1SMN1; SMN2FFAR1ACACB
SCHEMBL687858 0.90 MEN1 (0.37) KMT2AMEN1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US claimed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 KMT2A 3959/4885MEN1 3955/4885HPGD 1322/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KMT2A 3998/4885MEN1 3985/4885HPGD 1063/4885

“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.