SCHEMBL3738385

SCHEMBL3738385

O=C(O)Cc1cc(Cl)ccc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.50
SHMT1 P34896 1/20 0.48
SHMT2 P34897 1/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
DCLRE1B Q9H816 1/20 0.46
CHRM1 P11229 5/20 0.45
CHRM3 P20309 2/20 0.45
CXCL8 P10145 1/20 0.44
CYP2C9 P11712 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 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
SCHEMBL3738386 0.90 FFAR1 (0.54) SUCNR1SHMT1SHMT2FFAR1FFAR4
SCHEMBL9890655 0.88 PPARG (0.49) SUCNR1SHMT1SHMT2FFAR1FFAR4
SCHEMBL9890674 0.88 SUCNR1 (0.46) SUCNR1SHMT1SHMT2FFAR1FFAR4
SCHEMBL9890669 0.87 SUCNR1 (0.47) SUCNR1SHMT1SHMT2FFAR1FFAR4
SCHEMBL9890642 0.87 CHRM1 (0.57) SUCNR1DCLRE1BCHRM1CHRM3CXCL8
SCHEMBL3745897 0.85 KEAP1 (0.47) SUCNR1FFAR1FFAR4CHRM1CXCL8
SCHEMBL3749575 0.82 NAPRT (0.47) FFAR1FFAR4PTGDR2
SCHEMBL14686334 0.80 NUDT1 (0.44) FFAR1FFAR4DCLRE1BCHRM1CHRM3
SCHEMBL3735666 0.79 FABP4 (0.45) SUCNR1SHMT1FFAR1FFAR4CHRM1
SCHEMBL3736875 0.79 KEAP1 (0.47) FFAR1FFAR4CHRM1CXCL8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SUCNR1 3164/4885SHMT1 3864/4885SHMT2 3729/4885

“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.