SCHEMBL4434047

SCHEMBL4434047

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1c(=O)c2ccccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
EDNRB P24530 3/20 0.41
EDNRA P25101 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4428312 0.93 ITGB3 (0.41) KMT2AMEN1USP2THRBHTT
SCHEMBL4426938 0.82 ITGB3 (0.41) KMT2AITGB3ITGAVGAA
SCHEMBL4426804 0.82 USP2 (0.40) KMT2AMEN1USP2HTTMAPT
SCHEMBL4552119 0.81 GAA (0.43) KMT2ATHRBTP53ITGB3ITGAV
SCHEMBL4436976 0.79 ITGB3 (0.42) KMT2ATP53ITGB3ITGAVGAA
SCHEMBL4434014 0.79 ITGB3 (0.42) KMT2ATP53ITGB3ITGAVGAA
SCHEMBL4428522 0.79 ITGB3 (0.40) ITGB3ITGAVGAA
SCHEMBL4431178 0.78 ITGB3 (0.41) ITGB3ITGAVGAA
SCHEMBL7697653 0.78 ITGB3 (0.41) ITGB3ITGAVGAA
SCHEMBL4426505 0.78 ITGB3 (0.44) KMT2AMEN1ITGB3ITGAVGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 US disclosed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US disclosed
EP-1189881-A4 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-11-27 EP disclosed
WO-2000068188-A9 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed
EP-1189881-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-03-27 EP disclosed
WO-2000068188-A1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-16 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 (1 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-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KMT2A 4655/4885MEN1 3739/4885USP2 3451/4885

“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.