SCHEMBL4312918

SCHEMBL4312918

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 6/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
GAA P10253 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
SCHEMBL13807639 0.93 MAPT (0.34) MAPTTP53POLBCCR1UBE2M
SCHEMBL4314441 0.92 CCR1 (0.34) MAPTTP53POLBCCR1UBE2M
SCHEMBL13807604 0.89 CCR1 (0.34) MAPTTP53POLBCCR1UBE2M
SCHEMBL4317943 0.86 TP53 (0.33) MAPTTP53POLBCCR1UBE2M
SCHEMBL4314306 0.84 UBE2M (0.32) MAPTTP53POLBCCR1UBE2M
SCHEMBL4309555 0.84 MAPT (0.33) MAPTTP53POLBCCR1LMNA
SCHEMBL4307513 0.84 CCR1 (0.34) MAPTTP53POLBCCR1UBE2M
SCHEMBL4309575 0.82 CCR1 (0.36) MAPTTP53POLBCCR1UBE2M
SCHEMBL4311529 0.82 CCR1 (0.36) MAPTTP53POLBCCR1UBE2M
SCHEMBL13807590 0.82 TP53 (0.33) MAPTTP53POLBCCR1UBE2M

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 6 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
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 MAPT 4614/4885TP53 2065/4885POLB 4297/4885

“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.