SCHEMBL4424723

SCHEMBL4424723

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(OCC)c(OCC)c1)n1cc(C)cc(Cc2ccccc2Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 4/20 0.40
KMT2A Q03164 4/20 0.39
FPR1 P21462 4/20 0.38
FPR2 P25090 2/20 0.38
POLB P06746 3/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CASP1 P29466 2/20 0.35
CTSA P10619 1/20 0.34
TNF P01375 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6763118 0.89 CTSA (0.40) FPR1FPR2CTSA
SCHEMBL4426944 0.89 FPR1 (0.39) SMN1; SMN2FPR1FPR2POLBCASP1
SCHEMBL4427906 0.88 CTSA (0.39) FPR1FPR2CASP1CTSA
SCHEMBL4437344 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1KMT2AFPR1FPR2
SCHEMBL4428511 0.87 CTSA (0.39) FPR1FPR2CTSA
SCHEMBL4425690 0.87 KMT2A (0.41) SMN1; SMN2NPSR1KMT2APOLBMEN1
SCHEMBL4435310 0.87 CTSA (0.37) FPR1FPR2CASP1CTSA
SCHEMBL4427912 0.86 FPR1 (0.41) SMN1; SMN2FPR1FPR2POLBCTSA
SCHEMBL4426779 0.86 FPR1 (0.37) SMN1; SMN2KMT2AFPR1FPR2CASP1
SCHEMBL4424600 0.85 GAA (0.38) KMT2APOLBMEN1

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 SMN1; SMN2 3518/4885NPSR1 1156/4885KMT2A 4655/4885

“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.