SCHEMBL4311554

SCHEMBL4311554

Cc1cc(CC(=O)O)nn1CC(=O)N1CCC(c2nc(-c3cc(C(C)(C)C)nc(C(C)(C)C)n3)c(Cl)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 3/20 0.32
CCR1 P32246 1/20 0.32
SHMT1 P34896 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL4315534 0.86 FAAH (0.33) TP53ALDH1A1SMN1; SMN2GAASHMT1
SCHEMBL4307217 0.84 MAPT (0.34) MAPTTP53POLBLMNAHTT
SCHEMBL4309555 0.83 MAPT (0.33) MAPTTP53POLBLMNAHTT
SCHEMBL4314441 0.81 CCR1 (0.34) MAPTTP53POLBLMNACCR1
SCHEMBL4311082 0.80 CCR1 (0.37) MAPTTP53POLBGAACCR1
SCHEMBL4311093 0.78 CCR1 (0.31) MAPTTP53POLBLMNAHTT
SCHEMBL13807765 0.78 FAAH (0.35) TP53LMNACCR1SHMT1
SCHEMBL13807445 0.77 KDM4E (0.41) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL4317232 0.76 CXCR3 (0.47) MAPTTP53POLBLMNA
SCHEMBL13807687 0.76 MAPT (0.34) MAPTTP53POLBLMNAHTT

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 5 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
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
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.