SCHEMBL4318751

SCHEMBL4318751

COc1c(C(C)(C)C)cc(-c2csc(C3CCN(C(=O)Cc4nc(CC(=O)O)c(C)s4)CC3)n2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
LMNA P02545 1/20 0.33
SPR P35270 1/20 0.32
HSD11B1 P28845 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
F2RL3 Q96RI0 1/20 0.32

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
SCHEMBL13807749 0.92 FAAH (0.38) FAAHUBE2MDCUN1D1LMNAHSD11B1
SCHEMBL4320850 0.88 MAPT (0.34) UBE2MDCUN1D1LMNAALDH1A1SMN1; SMN2
SCHEMBL4326526 0.87 UBE2M (0.33) UBE2MDCUN1D1LMNA
SCHEMBL13807750 0.83 FAAH (0.38) FAAHUBE2MDCUN1D1LMNAHSD11B1
SCHEMBL13807629 0.82 CCR1 (0.33) FAAHUBE2MDCUN1D1SPRALDH1A1
SCHEMBL13807668 0.81 TP53 (0.33) UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL13807677 0.80 UBE2M (0.32) FAAHUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL13807216 0.77 HTT (0.46) FAAHALDH1A1F2RL3
SCHEMBL4312441 0.77 ALDH1A1 (0.35) UBE2MDCUN1D1LMNAALDH1A1SMN1; SMN2
SCHEMBL13807626 0.75 FAAH (0.34) FAAHUBE2MDCUN1D1SPRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US claimed
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP claimed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO claimed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 FAAH 2880/4885UBE2M 4847/4885DCUN1D1 3639/4885

“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.