SCHEMBL4173723

SCHEMBL4173723

OCCc1nc(-c2ccc(OC(F)(F)F)cc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.46
S1PR3 Q99500 5/20 0.46
TP53 P04637 1/20 0.45
SCN5A Q14524 3/20 0.42
TRPV3 Q8NET8 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SCN9A Q15858 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16217979 0.83 TP53 (0.46) S1PR1S1PR3TP53SCN5AADORA3
SCHEMBL2056287 0.83 TP53 (0.49) S1PR1S1PR3TP53SCN5AADORA3
SCHEMBL4182143 0.81 S1PR1 (0.48) S1PR1S1PR3TRPV3SCN9A
SCHEMBL13732755 0.81 ENPP3 (0.56) S1PR1S1PR3NPC1ALDH1A1MAPT
SCHEMBL13280527 0.80 TP53 (0.42) S1PR1S1PR3TP53SCN5AADORA3
SCHEMBL13281224 0.79 S1PR1 (0.43) S1PR1S1PR3TP53SCN5AADORA3
SCHEMBL15711822 0.76 ENPP3 (0.54) S1PR1S1PR3
SCHEMBL19835588 0.75 S1PR1 (0.58) S1PR1TP53HDAC1HDAC2HDAC8
SCHEMBL2056108 0.75 TP53 (0.69) TP53SCN5AADORA3SCN9AKDM4E
SCHEMBL4194352 0.73 CYP4F2 (0.41) S1PR1S1PR3SUCNR1

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 5 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

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 1308/4885TP53 576/4885

“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.