SCHEMBL5167465

SCHEMBL5167465

CCc1ccc(CCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.34
S1PR3 Q99500 4/20 0.34
ALOX5 P09917 1/20 0.32
TNNC1 P63316 5/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
S1PR5 Q9H228 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL5168534 0.91 ALOX5 (0.32) S1PR1S1PR3ALOX5TAAR1DPP4
SCHEMBL5168931 0.89 ALOX5 (0.42) S1PR1ALOX5
SCHEMBL385900 0.89 GRM5 (0.39) S1PR1ALOX5TAAR1DPP4
SCHEMBL5168144 0.88 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5
SCHEMBL5166740 0.87 TAAR1 (0.35) S1PR1S1PR3TAAR1
SCHEMBL5168669 0.87 TAAR1 (0.35) S1PR1S1PR3ALOX5TAAR1
SCHEMBL5165351 0.87 HTT (0.34) ALOX5
SCHEMBL5166026 0.84 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL385248 0.84 EGLN1 (0.35) S1PR1S1PR3S1PR4S1PR5
SCHEMBL5165564 0.84 GRM5 (0.33) S1PR1S1PR3ALOX5TNNC1SGPL1

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-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
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 S1PR1 1542/4885S1PR3 1921/4885ALOX5 1064/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A S1PR1 1542/4885S1PR3 1921/4885ALOX5 1064/4885

“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.