SCHEMBL2948208

SCHEMBL2948208

COc1ccccc1-c1nc(CO)cn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.55
TRPV1 Q8NER1 1/20 0.43
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NOTUM Q6P988 1/20 0.42
CNR1 P21554 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
FPR2 P25090 1/20 0.38
PTGS1 P23219 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5449238 0.88 PTGS2 (0.48) PTGS2NOTUMCNR1CA1CA2
SCHEMBL5514584 0.79 PTGS2 (0.54) PTGS2NOTUMPTGS1
SCHEMBL5444900 0.73 CNR1 (0.56) PTGS2CNR1HSD17B10
SCHEMBL5443076 0.71 CCNE1 (0.45) PTGS2CNR1TSHRHTTHSD17B10
SCHEMBL5174504 0.70 CNR1 (0.53) PTGS2CNR1
SCHEMBL5295496 0.70 TRPV1 (0.55) TRPV1JAK2JAK3FPR2TSHR
SCHEMBL29786814 0.70 TRPV1 (0.55) TRPV1JAK2JAK3FPR2TSHR
SCHEMBL5424741 0.68 PTGS2 (0.56) PTGS2CA1CA2CA9PTGS1
SCHEMBL5450735 0.68 GPBAR1 (0.48) PTGS2CNR1
SCHEMBL14339091 0.68 CNR1 (0.44) PTGS2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 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-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARD, PPARA PTGS2 669/4885TRPV1 562/4885PDE2A 1007/4885

“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.