SCHEMBL5166953

SCHEMBL5166953

CCOC(=O)C(CC(C)c1cccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
MMP8 P22894 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RORC P51449 1/20 0.38
PIN1 Q13526 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5166330 0.86 CYP2C19 (0.49) CYP2C19PKMSMN1; SMN2ALOX5ALDH1A1
SCHEMBL12745585 0.85 ALOX5 (0.41) TDP1SMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL3407961 0.79 ALOX5 (0.45) TDP1SMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL934056 0.78 CYP2C19 (0.70) CYP2C19TDP1MMP8PKMSMN1; SMN2
SCHEMBL1432886 0.77 MMP8 (0.45) MMP8PKMSMN1; SMN2HSD17B10ALOX5
SCHEMBL29045224 0.76 ALOX5 (0.43) TDP1SMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL1695960 0.75 KEAP1 (0.53) PKMSMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL25358790 0.74 MME (0.43) PKMSMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL17724568 0.74 ALOX5 (0.41) PKMSMN1; SMN2HSD17B10ALOX5ALDH1A1
SCHEMBL4398618 0.74 ALOX5 (0.41) PKMSMN1; SMN2HSD17B10ALOX5ALDH1A1

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 CYP2C19 1228/4885TDP1 3661/4885MMP8 3296/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP2C19 1228/4885TDP1 3661/4885MMP8 3296/4885

“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.