SCHEMBL4309575

SCHEMBL4309575

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4nc(CC(=O)O)c(Br)c4C)CC3)sc2Cl)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.36
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL4307513 0.93 CCR1 (0.34) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL4311529 0.91 CCR1 (0.36) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL13807629 0.88 CCR1 (0.33) CCR1UBE2MDCUN1D1
SCHEMBL4314441 0.87 CCR1 (0.34) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL13807675 0.86 CCR1 (0.34) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL4317943 0.86 TP53 (0.33) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL13807739 0.85 CCR1 (0.35) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL4972363 0.83 CCR1 (0.38) CCR1UBE2MDCUN1D1CYP2C19KCNH2
SCHEMBL4320850 0.83 MAPT (0.34) UBE2MDCUN1D1KCNH2TP53POLB
SCHEMBL4312918 0.82 MAPT (0.34) CCR1UBE2MDCUN1D1TP53POLB

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-8796251-B2 Compositions and methods for the treatment of glomerulonephritis AVEXXIN AS (NO) 2014-08-05 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
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US 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 7/4885UBE2M 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.