SCHEMBL3735666

SCHEMBL3735666

O=C(O)Cc1cc(Cl)ccc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.45
SHMT1 P34896 1/20 0.45
CHRM1 P11229 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
FABP5 Q01469 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ACLY P53396 1/20 0.42

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
SCHEMBL3736882 0.91 AKR1C3 (0.49) SUCNR1PTGDR2AKR1C3AKR1C2FFAR1
SCHEMBL3745897 0.90 KEAP1 (0.47) CHRM1SUCNR1PTGDR2KEAP1NFE2L2
SCHEMBL9890670 0.88 ACLY (0.50) FABP4SHMT1CHRM1SUCNR1PTGDR2
SCHEMBL3749563 0.87 TSHR (0.47) PTGDR2FFAR1FFAR4MMP1MMP2
SCHEMBL9890770 0.86 ICMT (0.43) FABP4SHMT1FABP5DHODH
SCHEMBL3738386 0.85 FFAR1 (0.54) SHMT1CHRM1SUCNR1PTGDR2KEAP1
SCHEMBL12202804 0.85 FFAR1 (0.46) CHRM1SUCNR1PTGDR2KEAP1NFE2L2
SCHEMBL3741692 0.84 FFAR1 (0.57) SUCNR1PTGDR2KEAP1NFE2L2FFAR1
SCHEMBL9890676 0.84 PSEN1 (0.59) PTGDR2AKR1C3AKR1C2
SCHEMBL9890674 0.84 SUCNR1 (0.46) SHMT1CHRM1SUCNR1PTGDR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US claimed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US claimed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP claimed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO claimed
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP disclosed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 FABP4 1881/4885SHMT1 3864/4885CHRM1 4883/4885

“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.