SCHEMBL5165331

SCHEMBL5165331

CC(=O)c1ccc(CCCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
TNNC1 P63316 5/20 0.35
S1PR1 P21453 3/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.31
KMT2A Q03164 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
SCHEMBL5165218 0.88 CYP4F2 (0.33) KMT2A
SCHEMBL5165564 0.87 GRM5 (0.33) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL5168907 0.86 TNNC1 (0.32) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL385990 0.86 ALOX5 (0.41) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL386443 0.86 GRM5 (0.41) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL385453 0.86 S1PR1 (0.44) S1PR1S1PR4S1PR3S1PR5
SCHEMBL386263 0.84 CALM1 (0.36) ALOX5
Fumaric Acid SCHEMBL5169563 0.84 ALOX5 (0.41) S1PR1ALOX5
Maleic Acid SCHEMBL5169552 0.84 ALOX5 (0.41) S1PR1ALOX5
SCHEMBL5168920 0.84 L3MBTL1 (0.40) S1PR1S1PR4S1PR3S1PR5DPP4

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 HSD17B10 252/4885TNNC1 4829/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HSD17B10 252/4885TNNC1 4829/4885S1PR1 1542/4885

“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.