SCHEMBL3588560

SCHEMBL3588560

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cs2)cc2c1OCCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
GPR119 Q8TDV5 9/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
ALOX5 P09917 2/20 0.32
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
RORC P51449 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SHMT1 P34896 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
SCHEMBL13072197 0.87 PTGS1 (0.36) PTGS1PTGS2GPR119ALDH1A1KDM4E
SCHEMBL3591383 0.86 ALDH1A1 (0.37) GPR119ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3581546 0.84 KDM4E (0.36) GPR119ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3588558 0.83 PTGS1 (0.37) PTGS1PTGS2ALOX5
SCHEMBL3587927 0.83 ALDH1A1 (0.38) GPR119ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3587938 0.80 GRIN2B (0.40) GPR119ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2297608 0.79 CCR5 (0.43) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3591327 0.78 ENPP2 (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL3590433 0.78 TRPC3 (0.40) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL3593203 0.77 CPT1A (0.44) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1

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 1 patent. 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

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 PTGS1 190/4885PTGS2 311/4885GPR119 161/4885

“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.