SCHEMBL6306147

SCHEMBL6306147

CC(N)(CCc1ccc(C=CCCCCC2CCCCC2)s1)COC(=O)/C=C\C(=O)OCC(C)(N)CCc1ccc(C=CCCCCC2CCCCC2)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NAAA Q02083 11/20 0.33
ASAH1 Q13510 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
Maleic Acid SCHEMBL6306142 0.84 MAPK1 (0.34) S1PR4S1PR1S1PR3S1PR5
Fumaric Acid SCHEMBL6306151 0.84 MAPK1 (0.34) S1PR4S1PR1S1PR3S1PR5
Maleic Acid SCHEMBL6306145 0.84 MAPK1 (0.34) S1PR4S1PR1S1PR3S1PR5
SCHEMBL6310680 0.81 TNNC1 (0.33) S1PR3
SCHEMBL6310677 0.81 TNNC1 (0.33) S1PR3
SCHEMBL6303022 0.81 AKR1B10 (0.38)
SCHEMBL6302860 0.74 S1PR3 (0.35) S1PR4S1PR1S1PR3S1PR5NAAA
SCHEMBL5165705 0.72
SCHEMBL5169927 0.71 TDP1 (0.35) S1PR4S1PR1S1PR3S1PR5
SCHEMBL385423 0.70 S1PR1 (0.49) S1PR4S1PR1S1PR3S1PR5

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-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 S1PR4 2494/4885S1PR1 1542/4885S1PR3 1921/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A S1PR4 2494/4885S1PR1 1542/4885S1PR3 1921/4885

“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.