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SCHEMBL4314441

SCHEMBL4314441

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4nc(CC(=O)O)cc4C)CC3)sc2Cl)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 9/20 0.34
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ SHMT1 P34896 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13807604 0.93 CCR1 (0.34) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4312918 0.92 MAPT (0.34) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4314306 0.92 UBE2M (0.32) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4309555 0.91 MAPT (0.33) CCR1TP53MAPTPOLBLMNA
SCHEMBL4317943 0.90 TP53 (0.33) CCR1TP53MAPTPOLBUBE2M
SCHEMBL13807639 0.89 MAPT (0.34) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4307217 0.88 MAPT (0.34) CCR1TP53MAPTPOLBLMNA
SCHEMBL4307513 0.88 CCR1 (0.34) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4309575 0.87 CCR1 (0.36) CCR1TP53MAPTPOLBUBE2M
SCHEMBL4311529 0.87 CCR1 (0.36) CCR1TP53MAPTPOLBUBE2M

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 CCR1 7/4885TP53 2065/4885MAPT 4614/4885

“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.