SCHEMBL3514080

SCHEMBL3514080

CCCCCCOc1ccc(CC[C@@](C)(N)CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.73
S1PR4 O95977 8/20 0.73
S1PR3 Q99500 8/20 0.73
S1PR5 Q9H228 7/20 0.73
TNNC1 P63316 5/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
SPHK2 Q9NRA0 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53

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
SCHEMBL3509655 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL7615633 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL7621645 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL1554624 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL296505 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL23674394 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL30096682 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL7614632 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
Water SCHEMBL7896708 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL4822056 0.99 S1PR1 (0.70) S1PR1S1PR4S1PR3S1PR5TNNC1

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 282/4885S1PR4 739/4885S1PR3 281/4885

“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.