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SCHEMBL4424644

SCHEMBL4424644

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(C(F)F)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 2/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ CTSA P10619 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP26A1 O43174 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MMP2 P08253 6/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP1 P03956 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
SCHEMBL7429087 0.93 MMP2 (0.38) FPR1CASP1CTSAPOLBMMP2
SCHEMBL4427187 0.93 MMP2 (0.38) FPR1CASP1CTSAPOLBMMP2
SCHEMBL4429149 0.92 CYP26A1 (0.39) FPR1CASP1CTSACYP26A1
SCHEMBL4435606 0.91 FPR1 (0.36) FPR1CASP1CTSAPPARGPOLB
SCHEMBL4429239 0.91 CASP1 (0.38) FPR1CASP1CTSAPPARGMMP2
SCHEMBL4435231 0.91 CASP1 (0.38) FPR1CASP1CTSAPPARGMMP2
SCHEMBL7431479 0.91 CASP1 (0.38) FPR1CASP1CTSAPPARGMMP2
SCHEMBL4434290 0.91 FPR1 (0.39) FPR1CASP1CTSAPOLB
SCHEMBL4426400 0.90 CYP26A1 (0.38) FPR1CTSACYP26A1MMP2MMP3
SCHEMBL4429980 0.90 CASP1 (0.36) FPR1CASP1CTSACYP26A1OPRK1

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 905/4885CTSA 1318/4885

“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.