SCHEMBL3596407

SCHEMBL3596407

COC(=O)Cn1cc(C)nc1SC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13031186 0.84 GAA (0.35) GAANPC1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2970537 0.80 GAA (0.41) GAANPC1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3589998 0.74 GAA (0.40) GAANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL13072296 0.74 GAA (0.40) GAANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL3594313 0.73 GFER (0.56) GAANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL15724295 0.73 KDM4E (0.37) GAANPC1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL13031189 0.70 ALDH1A1 (0.36) NPC1ALDH1A1POLBKDM4EL3MBTL1
SCHEMBL21233041 0.69 MAPK1 (0.49) GAAHSD17B10SMN1; SMN2ALDH1A1POLB
SCHEMBL18518478 0.68 CASP3 (0.45) GAAHSD17B10ALDH1A1MAPTTSHR
SCHEMBL15495578 0.67 KDM4E (0.41) GAANPC1HSD17B10SMN1; SMN2ALDH1A1

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 4 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
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

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 GAA 4433/4885NPC1 1365/4885HSD17B10 1901/4885

“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.