SCHEMBL3580596

SCHEMBL3580596

COC(=O)Cn1cc(CO)nc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 1/20 0.35
CASP3 P42574 1/20 0.35
MIF P14174 1/20 0.35
NOTUM Q6P988 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
SCHEMBL3588609 0.81 ALDH1A1 (0.42) POLBMAPTKDM4EALDH1A1CASP3
SCHEMBL2970537 0.81 GAA (0.41) GAAPOLBMAPTHTTKDM4E
SCHEMBL25751854 0.74 KDM4E (0.42) GAAMAPTKDM4EALDH1A1MIF
SCHEMBL28711155 0.69 ALDH1A1 (0.43) POLBMAPTKDM4EALDH1A1CASP3
SCHEMBL27646903 0.69 P2RX7 (0.45) POLBKDM4ESMN1; SMN2P2RX7MIF
SCHEMBL3584041 0.69 SMN1; SMN2 (0.47) GAAPOLBMAPTKDM4EALDH1A1
SCHEMBL13072296 0.69 GAA (0.40) GAAPOLBMAPTHTTKDM4E
SCHEMBL13384299 0.68 FPR2 (0.35) HTTKDM4EALDH1A1
SCHEMBL2960305 0.68 ALPL (0.50) GAAPOLBMAPTKDM4EALDH1A1
SCHEMBL15724295 0.68 KDM4E (0.37) GAAPOLBKDM4EALDH1A1SMN1; SMN2

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 GAA 4433/4885POLB 4548/4885MAPT 4292/4885

“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.