SCHEMBL2276306

SCHEMBL2276306

Cc1cccc2c1cc(C(=O)O)n2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.64
MCL1 Q07820 2/20 0.62
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GFER P55789 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
GPR35 Q9HC97 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
RHEB Q15382 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
PLA2G10 O15496 1/20 0.43
SRD5A2 P31213 1/20 0.43
NQO2 P16083 1/20 0.42
DAO P14920 1/20 0.42
EGFR P00533 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL2326927 0.83 MCL1 (0.57) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL8260 0.83 DAO (0.59) SLC9A1MCL1ALDH1A1HPGDGAA
SCHEMBL2275127 0.82 SLC9A1 (0.59) SLC9A1MCL1ALDH1A1GAAMAPT
SCHEMBL7877970 0.82 SLC9A1 (0.59) SLC9A1MCL1ALDH1A1HPGDMAPT
SCHEMBL28229955 0.81 SLC9A1 (0.48) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL3306325 0.81 MCL1 (0.56) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL19343561 0.81 MCL1 (0.56) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL2324550 0.81 MCL1 (0.56) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL23809095 0.79 MCL1 (0.53) SLC9A1MCL1ALDH1A1HPGDGFER
SCHEMBL10755572 0.79 ALDH1A1 (0.64) SLC9A1MCL1ALDH1A1HPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
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
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN 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
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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 (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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885MCL1 689/4885ALDH1A1 2491/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885MCL1 689/4885ALDH1A1 2491/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885MCL1 689/4885ALDH1A1 2491/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 SLC9A1 3587/4885MCL1 1/4885ALDH1A1 2556/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885MCL1 689/4885ALDH1A1 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.