SCHEMBL4671815

SCHEMBL4671815

CCCCCCCCCCCc1noc(-c2ccc(CN(CC(=O)O)c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4671678 0.90 SPHK1 (0.45) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL6424097 0.87 SPHK1 (0.47) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL1852508 0.86 SPHK1 (0.44) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL4671617 0.84 PPARG (0.44) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL4673042 0.84 PPARG (0.44) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL4669855 0.84 PPARG (0.44) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL1854066 0.84 SPHK1 (0.45) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL1854788 0.84 SPHK1 (0.45) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL1852830 0.82 SPHK1 (0.44) SPHK1PPARGPPARAPPARDS1PR1
SCHEMBL1860446 0.82 SPHK1 (0.44) SPHK1PPARGPPARAPPARDS1PR1

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
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA SPHK1 870/4885PPARG 2934/4885PPARA 2733/4885

“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.