SCHEMBL2276946

SCHEMBL2276946

CCOC(=O)CSc1sccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MAPT P10636 7/20 0.45
ALDH1A1 P00352 9/20 0.44
MEN1 O00255 7/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HPGD P15428 7/20 0.43
MITF O75030 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 2/20 0.42
SHMT2 P34897 1/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 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
SCHEMBL9431644 0.85 KMT2A (0.51) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5736865 0.80 ALDH1A1 (0.38) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9651722 0.79 MAPT (0.47) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9528983 0.79 CYP1A2 (0.42) KMT2AALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL28315461 0.72 CYP4F2 (0.45) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL2277778 0.72 ALDH1A1 (0.41) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL7243986 0.71 L3MBTL1 (0.50) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2652907 0.71 ALDH1A1 (0.47) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9836743 0.70 ALOX5 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL15595464 0.70 ALDH1A1 (0.46) KMT2AMAPTALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 US disclosed
US-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO 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 (4 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885MAPT 3629/4885ALDH1A1 2491/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 KMT2A 4427/4885MAPT 3629/4885ALDH1A1 2491/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885MAPT 3629/4885ALDH1A1 2491/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885MAPT 3629/4885ALDH1A1 2491/4885

“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.