SCHEMBL3285382

SCHEMBL3285382

C[C@H](NC1(c2ccccc2C(C)(C)C)CCCCO1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.50
CASP6 P55212 15/20 0.47
CASP8 Q14790 15/20 0.47

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
SCHEMBL1897560 0.91 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL4552820 0.91 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL1893933 0.86 CASP3 (0.57) CASP3CASP6CASP8
SCHEMBL4556858 0.85 CASP3 (0.62) CASP3CASP6CASP8
SCHEMBL4556364 0.82 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL4556832 0.82 CASP3 (0.56) CASP3CASP6CASP8
SCHEMBL15949720 0.81 CASP3 (0.42) CASP3CASP6CASP8
SCHEMBL4556879 0.81 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL4556825 0.81 CASP3 (0.57) CASP3CASP6CASP8
SCHEMBL1898227 0.80 CASP3 (0.58) CASP3CASP6CASP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091910-B1 CRYSTALLINE FORMS OF (3 S) -3- [N- (N' - (2-TERT-BUTYLPHENYL) OXAMYL) ALANINYL] AMINO-5- (2 ', 3 ', 5 ', 6 ' -TETRAFLUORO PHENOXY) -4-OXOPENTA NOIC ACID CONATUS PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-7692038-B2 Crystalline forms PFIZER, INC. (US) 2010-04-06 US disclosed
US-20080249031-A1 Of (3S)-3-[N (N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid; liver fibrosis PFIZER, INC. 2008-10-09 US 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-20080249031-A1 Of (3S)-3-[N (N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid; liver fibrosis OTC, PYGL, SLC10A1 CASP3 1425/4885CASP6 1463/4885CASP8 4163/4885

“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.