SCHEMBL4428468

SCHEMBL4428468

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)N1CCN(Cc2cccs2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.39
ITGB3 P05106 13/20 0.39
ITGA2B P08514 8/20 0.39
ITGAV P06756 7/20 0.38
F2R P25116 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4426829 0.96 POLB (0.42) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4427904 0.96 POLB (0.42) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4431181 0.89 POLB (0.40) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4429747 0.82 POLB (0.39) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4436779 0.81 ITGB3 (0.39) POLBHPGDGAAITGB3ITGA2B
SCHEMBL6761509 0.81 HPGD (0.40) POLBHPGDTAS1R3TAS1R1NPC1
SCHEMBL7546202 0.79 SMN1; SMN2 (0.47) HPGDGAATAS1R3TAS1R1NPC1
SCHEMBL7691977 0.79 POLB (0.41) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4428450 0.79 POLB (0.41) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4702813 0.76 ALDH1A1 (0.45) POLBHPGDGAAITGB3ITGA2B

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 4 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 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 POLB 4396/4885HPGD 818/4885GAA 1949/4885

“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.