SCHEMBL2949064

SCHEMBL2949064

COC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
EPHX2 P34913 4/20 0.49
NR1H4 Q96RI1 1/20 0.49
TLR7 Q9NYK1 2/20 0.48
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
MLYCD O95822 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL13702138 0.84 MLYCD (0.65) TRPV1NPC1RAB9AALDH1A1HDAC3
SCHEMBL10980522 0.82 TAS1R3 (0.59) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL14714898 0.79 TRPV1 (0.50) TRPV1NPC1RAB9AHDAC3HDAC1
SCHEMBL655058 0.79 ALDH1A1 (0.53) HPGDNPC1RAB9AALDH1A1MLYCD
SCHEMBL18896223 0.78 ALDH1A1 (0.56) TRPV1HPGDRAB9AALDH1A1HDAC3
SCHEMBL13527533 0.78 TRPV1 (0.57) TRPV1HPGDNPC1RAB9AHDAC3
SCHEMBL2208745 0.77 HPGD (0.63) TRPV1HPGDNPC1RAB9AHDAC3
SCHEMBL514352 0.77 CA1 (0.64) TRPV1HPGDNPC1RAB9AHDAC3
SCHEMBL4600689 0.76 TRPV1 (0.51) TRPV1NPC1RAB9AHDAC3HDAC1
SCHEMBL3365792 0.76 HTT (0.57) ALDH1A1SMN1; SMN2

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 4 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
EP-1843763-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-10-17 EP disclosed
WO-2006084176-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2006-08-10 WO 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 TRPV1 562/4885HPGD 590/4885NPC1 417/4885

“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.