SCHEMBL4435402

SCHEMBL4435402

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cc(OC)cc(OC)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.41
CASP1 P29466 4/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP8 Q14790 1/20 0.40
FPR2 P25090 2/20 0.36
CYP26A1 O43174 1/20 0.34
IDH1 O75874 1/20 0.34
MAPT P10636 1/20 0.34
CTSA P10619 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL4430253 0.92 FPR1 (0.38) FPR1CASP1CASP3CASP7CASP8
SCHEMBL4435266 0.91 FPR1 (0.40) FPR1CASP1CASP3CASP7CASP8
SCHEMBL4429163 0.91 FPR1 (0.36) FPR1CASP1FPR2
SCHEMBL4427187 0.91 MMP2 (0.38) FPR1CASP1CTSA
SCHEMBL7429087 0.91 MMP2 (0.38) FPR1CASP1CTSA
SCHEMBL4436965 0.91 FPR1 (0.43) FPR1CASP1CASP3CASP7CASP8
SCHEMBL7433099 0.91 FPR1 (0.39) FPR1CASP1CASP3CASP7CASP8
SCHEMBL4435400 0.89 CTSA (0.40) FPR1CYP26A1CTSA
SCHEMBL4435399 0.89 CTSA (0.40) FPR1CYP26A1CTSA
SCHEMBL8506622 0.89 CTSA (0.40) FPR1CYP26A1CTSA

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
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 claimed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US claimed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP claimed
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-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 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 (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 FPR1 40/4885CASP1 905/4885CASP3 1305/4885

“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.