SCHEMBL13698761

SCHEMBL13698761

CC(C)(C)c1ccc(F)c(C(=O)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NR1H4 Q96RI1 3/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL24735519 0.89 TDP1 (0.44) ACHETDP1HSP90AA1HSP90AB1NR1H4
SCHEMBL11348369 0.82 HSP90AA1 (0.55) ACHETDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL12203036 0.81 TDP1 (0.56) TDP1HSP90AA1HSP90AB1NR1H4EPHX2
SCHEMBL17695157 0.81 TDP1 (0.44) ACHETDP1HSP90AA1HSP90AB1NR1H4
SCHEMBL15745421 0.80 CES2 (0.50) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL11346608 0.80 TDP1 (0.42) ACHETDP1HSP90AA1HSP90AB1NR1H4
SCHEMBL11348872 0.78 ACHE (0.49) ACHENR1H4ALDH1A1MEN1MAPT
SCHEMBL20309068 0.78 CSNK2A1 (0.41) ACHEALDH1A1NPC1RAB9AMEN1
SCHEMBL14803473 0.77 GAA (0.53) TDP1HSP90AA1HSP90AB1NR1H4EPHX2
SCHEMBL9967855 0.77 HSP90AA1 (0.46) ACHETDP1HSP90AA1HSP90AB1NR1H4

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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD ACHE 2442/4885TDP1 3653/4885HSP90AA1 1871/4885

“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.