SCHEMBL6302944

SCHEMBL6302944

CCC(N)(CO)CCc1ccc(CCCCC2CCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR1 P21453 8/20 0.41
S1PR4 O95977 6/20 0.41
TNNC1 P63316 5/20 0.41
S1PR5 Q9H228 5/20 0.41
SGPL1 O95470 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
CEL P19835 1/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
S1PR2 O95136 4/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5169158 0.99 S1PR3 (0.45) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL386099 0.99 S1PR3 (0.45) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
Fumaric Acid SCHEMBL6302866 0.90 S1PR3 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
Maleic Acid SCHEMBL6302855 0.90 S1PR3 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL385547 0.85 CEL (0.39) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL386629 0.84 TDP1 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL386677 0.84 S1PR3 (0.45) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5168842 0.84 TDP1 (0.41) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5166108 0.84 S1PR3 (0.38) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6310394 0.84 CEL (0.38) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9

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-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A S1PR3 1921/4885CYP3A4 648/4885CYP2C8 657/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A S1PR3 1921/4885CYP3A4 648/4885CYP2C8 657/4885

“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.