SCHEMBL4183417

SCHEMBL4183417

COC(=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
HSD11B1 P28845 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
GSTO1 P78417 1/20 0.37
CACNA1G O43497 1/20 0.37
SMPD1 P17405 1/20 0.36

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
SCHEMBL13732465 0.88 MAPT (0.45) S1PR1S1PR3HSD11B1L3MBTL1ALDH1A1
SCHEMBL4188103 0.88 S1PR1 (0.45) S1PR1S1PR3HSD11B1ADORA3L3MBTL1
SCHEMBL628828 0.87 F2RL3 (0.38) S1PR1S1PR3L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6647862 0.83 ENPP3 (0.52) S1PR1S1PR3ADORA3ALDH1A1SMN1; SMN2
SCHEMBL13731856 0.78 S1PR1 (0.45) S1PR1S1PR3HSD11B1ADORA3L3MBTL1
SCHEMBL1847657 0.77 ADORA3 (0.50) S1PR1ADORA3L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10029558 0.76 KDM4E (0.35) ALDH1A1SMN1; SMN2TP53MAPTRAB9A
SCHEMBL4182143 0.75 S1PR1 (0.48) S1PR1S1PR3HSD11B1TRPV3
SCHEMBL630830 0.75 RXRA (0.43) S1PR1S1PR3L3MBTL1SMN1; SMN2TP53
SCHEMBL16217977 0.75 S1PR1 (0.45) S1PR1S1PR3HSD11B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD S1PR1 1410/4885S1PR3 1308/4885HSD11B1 585/4885

“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.