SCHEMBL13073948

SCHEMBL13073948

CC(C)c1cc(F)c(OC(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 9/20 0.38
▸ EPHX2 P34913 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ KCNN4 O15554 1/20 0.31
▸ GPR139 Q6DWJ6 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MAP3K12 Q12852 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
SCHEMBL12828162 0.83 CYP3A4 (0.33) PDE2AP2RX3P2RX2CYP3A4CYP2D6
SCHEMBL18068091 0.83 KCNK3 (0.35) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL12828155 0.81 PGK1 (0.39) PDE2AP2RX3P2RX2CYP3A4CYP2D6
SCHEMBL14453800 0.80 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL20642400 0.79 P2RX3 (0.35) PDE2AP2RX3P2RX2CYP3A4CYP2D6
SCHEMBL12828166 0.77 PDE2A (0.37) PDE2AEPHX2ALOX5APFEN1KCNN4
SCHEMBL24510024 0.73 PDE2A (0.36) PDE2AEPHX2ALOX5APFEN1HRH4
SCHEMBL24510026 0.73 PDE2A (0.33) PDE2AALOX5APFEN1HRH4KCNN4
SCHEMBL13939587 0.73 CYP3A4 (0.36) PDE2ACYP3A4CYP2D6TSHRCRHBP
SCHEMBL14392734 0.73 EPHX2 (0.37) PDE2AEPHX2ALOX5APFEN1

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-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 — — US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 — — US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 — — 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-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PDE2A 933/4885EPHX2 3006/4885ALOX5AP 1328/4885

“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.

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