SCHEMBL12828153

SCHEMBL12828153

Cc1cc(CC(F)(F)F)ccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 3/20 0.35
CARM1 Q86X55 1/20 0.35
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
PDE2A O00408 1/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 3/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
CETP P11597 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL18103226 0.86 P2RX7 (0.33) PDE2A
SCHEMBL25767184 0.85 PDE2A (0.33) LMNAPDE2AARTHRATHRB
SCHEMBL23890877 0.79 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ECARM1LMNA
SCHEMBL10629149 0.78 ALDH1A1 (0.41) ALDH1A1LMNAHTR2BHTTL3MBTL1
SCHEMBL25767278 0.78 GSR (0.31) AR
SCHEMBL18844142 0.77 SKP2 (0.43) ALDH1A1HPGDKDM4ECARM1LMNA
SCHEMBL11449778 0.76 CYP1A2 (0.43) ALDH1A1HPGDKDM4ECARM1LMNA
SCHEMBL17880793 0.75 CSNK2A1 (0.44) ALDH1A1HPGDKDM4ECARM1LMNA
SCHEMBL11981073 0.75 GABRA1 (0.42) ALDH1A1HPGDKDM4ECARM1LMNA
SCHEMBL22649210 0.74 PLA2G1B (0.33) CARM1

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-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

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 ALDH1A1 1551/4885HPGD 742/4885KDM4E 3245/4885

“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.