SCHEMBL4426804

SCHEMBL4426804

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1c(=O)c(Cc2ccccc2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ITGB3 P05106 5/20 0.39
ITGAV P06756 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGA2B P08514 2/20 0.36
EDNRA P25101 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
ITGB8 P26012 1/20 0.36

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
SCHEMBL4426938 0.87 ITGB3 (0.41) KMT2AITGB3ITGAVGAAITGA2B
SCHEMBL4428312 0.83 ITGB3 (0.41) USP2KMT2AMEN1HTTITGB3
SCHEMBL4434047 0.82 KMT2A (0.47) USP2KMT2AMEN1HTTITGB3
SCHEMBL4429175 0.81 FPR1 (0.48) ITGB3ITGAVGAAEDNRA
SCHEMBL4434014 0.80 ITGB3 (0.42) KMT2AITGB3ITGAVGAALMNA
SCHEMBL4436976 0.80 ITGB3 (0.42) KMT2AITGB3ITGAVGAALMNA
SCHEMBL4428449 0.80 ITGB3 (0.42) KMT2AITGB3ITGAVGAAITGA2B
SCHEMBL4431178 0.79 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BITGB5
SCHEMBL7697653 0.79 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BITGB5
SCHEMBL4436751 0.79 ITGB3 (0.41) ITGB3ITGAVGAAITGA2BITGB5

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 7 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
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 USP2 3451/4885ALPG 4423/4885KMT2A 4655/4885

“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.