SCHEMBL12828166

SCHEMBL12828166

Cc1cc(F)c(OC(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM2 Q14416 5/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ AAK1 Q2M2I8 2/20 0.33
▸ UHRF1 Q96T88 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL13073944 0.82 UHRF1 (0.42) PDE3BPDE3AMEN1KMT2AGRM2
SCHEMBL13073831 0.79 PGK1 (0.42) PDE3BPDE3AMEN1KMT2AGRM2
SCHEMBL14268085 0.78 TUBB1 (0.41) UHRF1CYP1A2CYP2A6
SCHEMBL14392734 0.77 EPHX2 (0.37) PDE2AEPHX2ALOX5APFEN1
SCHEMBL13073948 0.77 PDE2A (0.38) PDE2AEPHX2ALOX5APFEN1KCNN4
SCHEMBL17979085 0.72 PDE3B (0.37) PDE3BPDE3ANTRK1
SCHEMBL12828161 0.69 CYP11B2 (0.39) UHRF1CYP1A2CYP2A6
SCHEMBL25669006 0.69 — —
SCHEMBL900955 0.68 PDE2A (0.50) PDE2AEPHX2GRM2
SCHEMBL23044965 0.68 SCN5A (0.37) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 — — EP disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 — — US disclosed
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-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 — — 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 (2 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-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PDE2A 933/4885EPHX2 3006/4885PDE3B 993/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PDE2A 933/4885EPHX2 3006/4885PDE3B 993/4885

“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.

Send feedback