SCHEMBL4426779

SCHEMBL4426779

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2ccccc2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.37
FPR2 P25090 2/20 0.37
CASP1 P29466 2/20 0.36
CTSA P10619 1/20 0.36
PTGER3 P43115 3/20 0.35
FFAR1 O14842 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR2 O15552 1/20 0.32

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
SCHEMBL4434041 0.95 FPR1 (0.35) FPR1FPR2CASP1CTSAPTGER3
SCHEMBL4436791 0.93 KMT2A (0.36) FPR1FPR2CASP1CTSAFFAR1
SCHEMBL4435242 0.93 CASP1 (0.37) FPR1FPR2CASP1CTSAGPR88
SCHEMBL4426944 0.92 FPR1 (0.39) FPR1FPR2CASP1CTSAPTGER3
SCHEMBL6759870 0.92 FFAR1 (0.36) FPR1FPR2CASP1CTSAPTGER3
SCHEMBL4434290 0.91 FPR1 (0.39) FPR1CASP1CTSAFFAR1GPR88
SCHEMBL4427172 0.91 CASP1 (0.43) FPR1FPR2CASP1GPR88KMT2A
SCHEMBL4424304 0.91 FPR1 (0.44) FPR1FPR2CASP1FFAR1SMN1; SMN2
SCHEMBL4435310 0.90 CTSA (0.37) FPR1FPR2CASP1CTSAPTGER3
SCHEMBL4427169 0.90 FPR1 (0.37) FPR1FPR2CASP1FFAR1GPR88

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 40/4885FPR2 248/4885CASP1 905/4885

“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.