SCHEMBL3590702

SCHEMBL3590702

CC(C)(C)c1cc(C(N)=S)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
POLB P06746 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3587775 0.90 GAA (0.49) GABRA1GABRB2GAAMAPTPTPN7
SCHEMBL3589490 0.78 EPHX2 (0.42) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL3020722 0.78 GABRA1 (0.50) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL13765807 0.77 MKNK1 (0.33) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL3370090 0.76 HTT (0.50) MAPTSMN1; SMN2POLBHTTMEN1
SCHEMBL627496 0.76 GAA (0.56) GAAMAPTPOLBRXRARXRB
SCHEMBL1263606 0.76 GABRA1 (0.48) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL47585 0.76 GABRA1 (0.48) GABRA1GABRB2GAAMAPTKDM4E
SCHEMBL3577065 0.73 GAA (0.60) GAAMAPTKDM4ESMN1; SMN2POLB
SCHEMBL93161 0.72 GABRA1 (0.69) GABRA1GABRB2GAAMAPTKDM4E

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 3 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
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GABRA1 333/4885GABRB2 436/4885GAA 4433/4885

“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.