Sugi Predict

Sugi Predict / Compounds / SCHEMBL6759870

SCHEMBL6759870

SCHEMBL6759870

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2ccc(F)cc2Cl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.36
▸ CASP1 P29466 2/20 0.35
▸ FPR1 P21462 5/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ PTGER3 P43115 1/20 0.33
▸ CTSA P10619 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP26A1 O43174 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ GPR88 Q9GZN0 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
SCHEMBL7446239 0.92 FFAR1 (0.36) FFAR1CASP1FPR1FPR2PTGER3
SCHEMBL4426779 0.92 FPR1 (0.37) FFAR1CASP1FPR1FPR2PTGER3
SCHEMBL4434041 0.89 FPR1 (0.35) FFAR1CASP1FPR1FPR2PTGER3
SCHEMBL4436791 0.89 KMT2A (0.36) FFAR1CASP1FPR1FPR2CTSA
SCHEMBL4435242 0.87 CASP1 (0.37) CASP1FPR1FPR2CTSAGPR88
SCHEMBL4434290 0.87 FPR1 (0.39) FFAR1CASP1FPR1CTSAKMT2A
SCHEMBL4424304 0.86 FPR1 (0.44) FFAR1CASP1FPR1FPR2
SCHEMBL6759875 0.86 FPR1 (0.43) FFAR1CASP1FPR1FPR2KMT2A
SCHEMBL4427169 0.86 FPR1 (0.37) FFAR1CASP1FPR1FPR2KMT2A
SCHEMBL4427172 0.85 CASP1 (0.43) CASP1FPR1FPR2KMT2ALMNA

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 6 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
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 FFAR1 22/4885CASP1 905/4885FPR1 40/4885

“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.