SCHEMBL5166330

SCHEMBL5166330

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KEAP1 Q14145 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5166953 0.86 CYP2C19 (0.44) CYP2C19ALOX5ALDH1A1NPC1RAB9A
SCHEMBL29065806 0.81 ALDH1A1 (0.49) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL4364840 0.81 ALDH1A1 (0.49) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL28814771 0.81 ALDH1A1 (0.49) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL27987923 0.79 RAB9A (0.50) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL19274402 0.79 ALOX5 (0.41) ALOX5ALDH1A1HPGDNPC1RAB9A
SCHEMBL4368395 0.77 HPGD (0.46) CYP2C19ALOX5ALDH1A1HPGDNPC1
Carbamic Acid SCHEMBL27381962 0.77 ALOX5 (0.53) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL3559567 0.77 CYP2C9 (0.51) CYP2C19ALOX5ALDH1A1HPGDNPC1
SCHEMBL11922846 0.77 CYP2C9 (0.51) CYP2C19ALOX5ALDH1A1HPGDNPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415735-C Amino alcohol derivatives SANKYO CO (JP) 2008-09-03 CN disclosed
CN-1328387-C Amino alcohol derivatives SANKYO CO (JP) 2007-07-25 CN disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
CN-1267429-C Amino alcohol derivatives SANKYO CO (JP) 2006-08-02 CN disclosed
CN-1800175-A Amino alcohol derivatives SANKYO CO (JP) 2006-07-12 CN disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
CN-1680563-A Amino alcohol derivatives SANKYO CO (JP) 2005-10-12 CN disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
CN-1494540-A Amino alcohol derivatives ������������ʽ���� 2004-05-05 CN 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 1228/4885ALOX5 1064/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP2C19 1228/4885ALOX5 1064/4885ALDH1A1 129/4885

“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.