SCHEMBL3589151

SCHEMBL3589151

CC(C)(C)c1cc(Br)c(N)c(SC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB2 P07550 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
SCHEMBL1275128 0.83 GAA (0.30) GAAMAPT
SCHEMBL13890497 0.80 GCK (0.32) MAPTMEN1KMT2A
SCHEMBL13515950 0.80
SCHEMBL4187872 0.80
SCHEMBL13516244 0.79
SCHEMBL13875591 0.79 GAA (0.32) GAAMAPTALDH1A1
SCHEMBL1542675 0.77 POLB (0.54) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29111979 0.74 GAA (0.31) HIF1AGAAMAPTALDH1A1RECQL
SCHEMBL3652875 0.72 CA1 (0.46) POLBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3586302 0.71 ALDH1A1 (0.48) POLBGAAMAPTMEN1ALDH1A1

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (2 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 POLB 4297/4885CYP1A2 3367/4885CYP2D6 2761/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 POLB 4548/4885CYP1A2 2025/4885CYP2D6 1650/4885

“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.