SCHEMBL3512065

SCHEMBL3512065

Cc1cc(C)cc(CCCCC(=O)c2ccc(CC[C@@](C)(N)CO)n2C)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.57
S1PR3 Q99500 3/20 0.57
S1PR5 Q9H228 1/20 0.57
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3512386 1.00 S1PR1 (0.57) S1PR1S1PR3S1PR5HDAC1
SCHEMBL3509474 0.97 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL385523 0.97 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL3511507 0.91 S1PR1 (0.55) S1PR1S1PR3S1PR5HDAC1
SCHEMBL3512788 0.91 S1PR1 (0.55) S1PR1S1PR3S1PR5HDAC1
SCHEMBL3510888 0.90 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL3511310 0.90 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL3512798 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL1453222 0.88 S1PR1 (0.58) S1PR1S1PR3S1PR5HDAC1
SCHEMBL3508312 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR5

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
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
EP-1915994-A1 CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR Sankyo Company, Limited (JP) 2008-04-30 EP 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-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator PPARG, PPARA, PPARD S1PR1 282/4885S1PR3 281/4885S1PR5 725/4885

“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.