SCHEMBL8066197

SCHEMBL8066197

C[C@H](NC(=O)c1cccc2ccccc12)C1=NOC(Cc2ccccc2)(C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c2c(Cl)cccc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 15/20 0.48
▸ CASP6 P55212 13/20 0.48
▸ CASP8 Q14790 13/20 0.48
▸ CASP1 P29466 4/20 0.40
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37

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
SCHEMBL14068158 0.96 CASP3 (0.44) CASP3CASP6CASP8CASP1ITGB1
SCHEMBL6611925 0.93 CASP3 (0.48) CASP3CASP6CASP8CASP1ITGB1
SCHEMBL14067881 0.88 CASP3 (0.48) CASP3CASP6CASP8CASP1ITGB1
SCHEMBL6613452 0.88 CASP3 (0.45) CASP3CASP6CASP8CASP1ITGB1
SCHEMBL6612006 0.86 CASP3 (0.41) CASP3CASP6CASP8ITGB1ITGA4
SCHEMBL6625593 0.86 CASP1 (0.41) CASP3CASP6CASP8CASP1
SCHEMBL6610884 0.85 CASP3 (0.39) CASP3CASP6CASP8CASP1
SCHEMBL6610133 0.85 CASP3 (0.47) CASP3CASP6CASP8CASP1
SCHEMBL6611761 0.85 CASP3 (0.47) CASP3CASP6CASP8CASP1ITGB1
SCHEMBL6613189 0.85 CASP3 (0.45) CASP3CASP6CASP8CASP1ITGB1

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
US-20110212056-A1 COMBINATION THERAPY FOR THE TREATMENT OF LIVER DISEASES CONATUS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
WO-2008106167-A1 COMBINATION THERAPY COMPRISING MATRIX METALLOPROTEINASE INHIBITORS AND CASPASE INHIBITORS FOR THE TREATMENT OF LIVER DISEASES CONATUS PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
US-20080207605-A1 Combination therapy for the treatment of liver diseases CONATUS PHARMACEUTICALS, INC. 2008-08-28 — — US disclosed
US-20080207605-A1 Combination therapy for the treatment of liver diseases CONATUS PHARMACEUTICALS, INC. 2008-08-28 — — 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 (2 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-20110212056-A1 COMBINATION THERAPY FOR THE TREATMENT OF LIVER DISEASES MMP10, MMP3, GOT2 CASP3 67/4885CASP6 43/4885CASP8 82/4885
US-20080207605-A1 Combination therapy for the treatment of liver diseases MMP10, MMP3, GOT2 CASP3 67/4885CASP6 43/4885CASP8 82/4885

“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.

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