SCHEMBL5165955

SCHEMBL5165955

CCOc1ccc(COCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.32
S1PR4 O95977 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 4/20 0.32
ACACB O00763 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5179483 0.90 HDAC4 (0.38) TDP1L3MBTL1
SCHEMBL5166026 0.90 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL5166283 0.88 KCNH2 (0.33) S1PR1S1PR3MAPTPOLBL3MBTL1
SCHEMBL5168144 0.87 S1PR1 (0.36) S1PR1S1PR4S1PR3S1PR5ACACB
SCHEMBL5166335 0.87 ALOX5 (0.40) S1PR1
SCHEMBL5167129 0.86 KDM4E (0.39) POLBSMN1; SMN2L3MBTL1
SCHEMBL384047 0.86 S1PR1 (0.49) S1PR1S1PR4S1PR3S1PR5
SCHEMBL385248 0.85 EGLN1 (0.35) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL5167036 0.85 IDO1 (0.34) S1PR1
SCHEMBL5167502 0.85 ALOX5 (0.40)

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