SCHEMBL5169702

SCHEMBL5169702

Cc1ccc(OCCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR3 Q99500 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
PPARA Q07869 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
S1PR5 Q9H228 1/20 0.39
HPGD P15428 3/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5167475 0.91 MAPT (0.40) S1PR1S1PR4S1PR3L3MBTL1PPARA
SCHEMBL5167727 0.90 S1PR1 (0.40) S1PR1S1PR4S1PR3L3MBTL1S1PR5
SCHEMBL5166829 0.90 PPARA (0.40) S1PR1S1PR4S1PR3PPARAS1PR5
SCHEMBL5165110 0.90 TDP1 (0.36) S1PR1S1PR4S1PR3CYP1A2CYP3A4
SCHEMBL5165561 0.90 S1PR4 (0.41) S1PR1S1PR4S1PR3PPARAS1PR5
SCHEMBL5169056 0.89 S1PR1 (0.39) S1PR1S1PR4S1PR3L3MBTL1S1PR5
SCHEMBL5169521 0.89 PPARA (0.42) S1PR1S1PR4S1PR3CYP1A2CYP3A4
SCHEMBL5168691 0.89 PDIA6 (0.37) S1PR1S1PR4S1PR3L3MBTL1S1PR5
SCHEMBL5169594 0.88 SMN1; SMN2 (0.43) L3MBTL1CYP1A2CYP3A4CYP2C19HPGD
SCHEMBL5167524 0.87 S1PR4 (0.43) S1PR1S1PR4S1PR3PPARAS1PR5

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.