SCHEMBL4435258

SCHEMBL4435258

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.41
MMP2 P08253 9/20 0.36
MMP1 P03956 4/20 0.36
MMP3 P08254 4/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
TACR3 P29371 1/20 0.35
CASP1 P29466 2/20 0.35
FPR1 P21462 2/20 0.35

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
SCHEMBL4436967 0.97 CTSA (0.41) CTSAMMP2MMP1FPR1
SCHEMBL4431712 0.97 CTSA (0.41) CTSAMMP2MMP1FPR1
SCHEMBL8506622 0.95 CTSA (0.40) CTSAMMP2MMP1MMP3FPR1
SCHEMBL4435400 0.95 CTSA (0.40) CTSAMMP2MMP1MMP3FPR1
SCHEMBL4435399 0.95 CTSA (0.40) CTSAMMP2MMP1MMP3FPR1
SCHEMBL7429087 0.95 MMP2 (0.38) CTSAMMP2MMP1MMP3CASP1
SCHEMBL4427187 0.95 MMP2 (0.38) CTSAMMP2MMP1MMP3CASP1
SCHEMBL4426400 0.94 CYP26A1 (0.38) CTSAMMP2MMP1MMP3FPR1
SCHEMBL4435266 0.94 FPR1 (0.40) CTSAMMP3CASP1FPR1
SCHEMBL7431479 0.93 CASP1 (0.38) CTSAMMP2MMP1MMP3TACR3

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 claimed
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 CTSA 1318/4885MMP2 836/4885MMP1 348/4885

“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.