SCHEMBL6762167

SCHEMBL6762167

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(OCC)c1)n1cc(C)cc(Cc2c(F)cccc2Cl)c1=O.Cc1ccc(C(CC(=O)O)NC(=O)[C@H](C(C)C)n2cc(C)cc(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.34
CASP3 P42574 4/20 0.34
CASP7 P55210 4/20 0.34
CASP8 Q14790 4/20 0.34
CTSA P10619 4/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.31
GNRHR P30968 2/20 0.31
FFAR1 O14842 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GPR88 Q9GZN0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FPR1 P21462 1/20 0.30
FPR2 P25090 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
SCHEMBL4426298 0.91 CASP1 (0.37) CASP1CASP3CASP7CASP8CTSA
SCHEMBL4424371 0.87 CTSA (0.40) CTSAMAPK1CYP3A4GNRHR
SCHEMBL4429245 0.86 CTSA (0.37) CASP1CASP3CASP7CASP8CTSA
SCHEMBL6763118 0.83 CTSA (0.40) CTSAFPR1FPR2
SCHEMBL4426779 0.83 FPR1 (0.37) CASP1CTSAFFAR1GPR88SMN1; SMN2
SCHEMBL4423188 0.82 CTSA (0.40) CASP1CTSAFPR1FPR2
SCHEMBL4430259 0.82 CTSA (0.43) CTSA
SCHEMBL4426944 0.82 FPR1 (0.39) CASP1CTSACYP3A4SMN1; SMN2FPR1
SCHEMBL4428511 0.81 CTSA (0.39) CTSAFPR1FPR2
SCHEMBL4424723 0.81 SMN1; SMN2 (0.42) CASP1CTSANPSR1SMN1; SMN2FPR1

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 3 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 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 CASP1 905/4885CASP3 1305/4885CASP7 2115/4885

“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.