SCHEMBL2271256

SCHEMBL2271256

Nc1ncc(/C=C/C(=O)O)cc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
P4HTM Q9NXG6 1/20 0.45
EGFR P00533 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
AKR1B10 O60218 4/20 0.41
AKR1B1 P15121 4/20 0.41
AKR1C3 P42330 4/20 0.41
MMP2 P08253 2/20 0.41
PAK1 Q13153 1/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL2271261 1.00 RAB9A (0.48) RAB9AP4HTMEGFRNPSR1AKR1B10
SCHEMBL1253149 0.83 RAB9A (0.44) RAB9AP4HTMNPSR1AKR1B10AKR1B1
SCHEMBL1253151 0.83 RAB9A (0.44) RAB9AP4HTMNPSR1AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL1093091 0.82 RAB9A (0.43) RAB9AP4HTMNPSR1AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL1093094 0.82 RAB9A (0.43) RAB9AP4HTMNPSR1AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL5275045 0.80 RAB9A (0.45) RAB9AP4HTMNPSR1AKR1B10AKR1B1
SCHEMBL2276271 0.79 P4HTM (0.50) RAB9AP4HTMNPSR1AKR1B10AKR1B1
SCHEMBL2276273 0.79 P4HTM (0.50) RAB9AP4HTMNPSR1AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL1254296 0.78 ACHE (0.42) RAB9AP4HTMNPSR1AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL1254295 0.78 ACHE (0.42) RAB9AP4HTMNPSR1AKR1B10AKR1B1

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 18 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-7048926-B2 Methods of agonizing and antagonizing FabK AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1330515-A4 METHODS OF AGONIZING AND ANTAGONIZING FABK AFFINIUM PHARM INC (CA) 2005-12-07 EP 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
US-20040053814-A1 Methods of agonizing and antagonizing FabK DEBIOPHARM INTERNATIONAL SA (CH) 2004-03-18 US disclosed
EP-1330515-A1 METHODS OF AGONIZING AND ANTAGONIZING FABK SmithKline Beecham Corporation (US) 2003-07-30 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-2002031128-A1 METHODS OF AGONIZING AND ANTAGONIZING FABK SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO 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 (5 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-20040053814-A1 Methods of agonizing and antagonizing FabK ANTXR2, FPR3, BDKRB2 RAB9A 4140/4885P4HTM 2599/4885EGFR 896/4885
US-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 RAB9A 3129/4885P4HTM 2790/4885EGFR 1653/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 RAB9A 3129/4885P4HTM 2790/4885EGFR 1653/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 RAB9A 3129/4885P4HTM 2790/4885EGFR 1653/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 RAB9A 3129/4885P4HTM 2790/4885EGFR 1653/4885

“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.