SCHEMBL4424304

SCHEMBL4424304

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2ccccc2OC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 11/20 0.44
FPR2 P25090 2/20 0.44
TLR7 Q9NYK1 2/20 0.38
CASP1 P29466 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
FFAR1 O14842 1/20 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
SCHEMBL4427169 0.94 FPR1 (0.37) FPR1FPR2TLR7CASP1POLB
SCHEMBL4435242 0.92 CASP1 (0.37) FPR1FPR2CASP1POLBSMN1; SMN2
SCHEMBL4426779 0.91 FPR1 (0.37) FPR1FPR2CASP1SMN1; SMN2FFAR1
SCHEMBL4434290 0.90 FPR1 (0.39) FPR1CASP1POLBSMN1; SMN2FFAR1
SCHEMBL4427172 0.90 CASP1 (0.43) FPR1FPR2CASP1SMN1; SMN2
SCHEMBL4426328 0.89 FPR1 (0.38) FPR1FPR2TLR7CASP1
SCHEMBL4434041 0.88 FPR1 (0.35) FPR1FPR2CASP1SMN1; SMN2FFAR1
SCHEMBL4436767 0.88 CASP1 (0.39) FPR1CASP1
SCHEMBL4436791 0.87 KMT2A (0.36) FPR1FPR2CASP1SMN1; SMN2FFAR1
SCHEMBL6759870 0.86 FFAR1 (0.36) FPR1FPR2CASP1FFAR1

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 248/4885TLR7 3024/4885

“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.