SCHEMBL5187779

SCHEMBL5187779

COCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TRPV3 Q8NET8 3/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
SMPD1 P17405 1/20 0.43
CFTR P13569 1/20 0.41
MAOB P27338 2/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GSTP1 P09211 1/20 0.39

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
SCHEMBL1549147 0.89 PPARD (0.45) MAPTFOSJUNNFKB1NFKB2
SCHEMBL1550012 0.81 RAB9A (0.49) MAPTNFKB1NFKB2RELATRPV3
SCHEMBL6017324 0.80 FOS (0.55) MAPTFOSJUNNFKB1NFKB2
SCHEMBL1550132 0.79 ALDH1A1 (0.46) MAPTFOSJUNNFKB1NFKB2
SCHEMBL1549782 0.78 PPARA (0.60) PPARD
SCHEMBL1549740 0.77 TRPV3 (0.42) FOSJUNNFKB1NFKB2RELA
SCHEMBL2273492 0.76 LMNA (0.53) MAPTFOSJUNNFKB1NFKB2
SCHEMBL1549652 0.76 TRPV3 (0.41) MAPTTRPV3GAAALDH1A1KMT2A
SCHEMBL6109397 0.76 PPARA (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL1550047 0.74 MCHR1 (0.41) MAPTGAASMPD1RAB9AALDH1A1

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
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed
US-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 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-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives PPARD, PPARA, PPARG MAPT 3660/4885FOS 4485/4885JUN 2773/4885

“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.