SCHEMBL13031372

SCHEMBL13031372

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)Cn4cncc4C)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2B Q13224 4/20 0.32
TMEM97 Q5BJF2 4/20 0.32
SIGMAR1 Q99720 4/20 0.32
KMT2A Q03164 2/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN1 Q05586 1/20 0.32
QPCT Q16769 3/20 0.32
MEN1 O00255 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32

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
SCHEMBL13031326 0.87 KCNH2 (0.36) PTGS2PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL13031134 0.86 PTGS2 (0.35) PTGS2PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL13031479 0.86 NAMPT (0.36) PTGS2PTGS1GRIN2BKCNH2GRIN1
SCHEMBL13031140 0.86 PTGS2 (0.36) PTGS2PTGS1GRIN2BKCNH2GRIN1
SCHEMBL13072300 0.86 KMT2A (0.34) PTGS2PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL13031295 0.85 GRIN2B (0.34) PTGS2PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL3589601 0.85 CPT1A (0.33) SMN1; SMN2NPC1RAB9AGRIN2BTMEM97
SCHEMBL13031505 0.85 WNT3 (0.38) PTGS2PTGS1GRIN2BGRIN1
SCHEMBL13031370 0.85 PTGS2 (0.35) PTGS2PTGS1GRIN2BKCNH2GRIN1
SCHEMBL13031390 0.85 CXCR3 (0.39) PTGS2PTGS1KCNH2P2RX3P2RX2

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 PTGS2 311/4885PTGS1 190/4885SMN1; SMN2 4711/4885

“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.