Sugi Predict

Sugi Predict / Compounds / SCHEMBL699440

SCHEMBL699440

SCHEMBL699440

NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.55
▸ ITGB3 P05106 1/20 0.55
▸ ITGA2B P08514 1/20 0.55
▸ GRIN1 Q05586 2/20 0.52
▸ GRIN2A Q12879 2/20 0.52
▸ CHRNA1 P02708 3/20 0.50
▸ CHRNG P07510 3/20 0.50
▸ CHRNB1 P11230 3/20 0.50
▸ CHRND Q07001 3/20 0.50
▸ SLC6A9 P48067 1/20 0.49
▸ ERAP2 Q6P179 2/20 0.47
▸ LNPEP Q9UIQ6 2/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ GRIA1 P42261 1/20 0.45
▸ CNR2 P34972 1/20 0.45

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
SCHEMBL4601261 1.00 F2 (0.55) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL22129699 0.91 ITGB3 (0.64) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL22129697 0.91 ITGB3 (0.64) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL8524876 0.86 ITGB3 (0.62) ITGB3ITGA2BGRIN1GRIN2ACHRNA1
SCHEMBL8524877 0.86 ITGB3 (0.62) ITGB3ITGA2BGRIN1GRIN2ACHRNA1
SCHEMBL29706457 0.83 ERAP2 (0.59) F2ERAP2LNPEPMMP2
SCHEMBL6277441 0.83 GPR139 (0.52) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL2464334 0.83 GPR139 (0.52) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL1009379 0.83 GPR139 (0.52) F2ITGB3ITGA2BGRIN1GRIN2A
SCHEMBL4182645 0.83 CPB1 (0.62) ITGB3ITGA2BTLR2MMP2MMP9

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213339-A1 Pharmaceutical Composition Containing Indometacin and/or Acemetacin DROSSAPHARM AG (CH) 2008-09-04 — — US claimed
EP-1912621-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN Drossapharm AG (CH) 2008-04-23 — — EP claimed
WO-2007014476-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN DROSSAPHARM AG (CH) 2007-02-08 — — WO claimed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 — — EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 — — US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 — — US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 — — US disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 — — EP disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 — — US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 — — US disclosed
US-20170105966-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN IMBODEN ROGER (CH) 2017-04-20 — — US disclosed
US-20080213339-A1 Pharmaceutical Composition Containing Indometacin and/or Acemetacin DROSSAPHARM AG (CH) 2008-09-04 — — US disclosed
EP-1581555-B1 CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS GIVAUDAN SA (CH) 2008-04-30 — — EP disclosed
EP-1912621-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN Drossapharm AG (CH) 2008-04-23 — — EP disclosed
WO-2007121600-A1 NUCLEIC ACID, POLYPEPTIDE AND ITS USE GIVAUDAN SA (CH) 2007-11-01 — — WO disclosed
WO-2007121599-A1 FUNCTIONAL METHOD TO IDENTIFY TASTANTS GIVAUDAN SA (CH) 2007-11-01 — — WO disclosed
WO-2007014476-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN DROSSAPHARM AG (CH) 2007-02-08 — — WO disclosed
US-20060275765-A1 G-proteins GIVAUDAN SA (CH) 2006-12-07 — — US disclosed
EP-1581555-A2 G-PROTEINS Givaudan SA (CH) 2005-10-05 — — EP disclosed
WO-2004055048-A2 CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS GIVAUDAN SA (CH) 2004-07-01 — — 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 (6 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-20170105966-A1 PHARMACEUTICAL COMPOSITION CONTAINING INDOMETACIN AND/OR ACEMETACIN ACE, IDO1, ACE2 F2 1010/4885ITGB3 3647/4885ITGA2B 4505/4885
US-20080213339-A1 Pharmaceutical Composition Containing Indometacin and/or Acemetacin ACE, IDO1, CMA1 F2 1020/4885ITGB3 3747/4885ITGA2B 4527/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 F2 4801/4885ITGB3 4515/4885ITGA2B 4160/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 F2 1984/4885ITGB3 4765/4885ITGA2B 4572/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 F2 4660/4885ITGB3 4397/4885ITGA2B 4112/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 F2 4660/4885ITGB3 4397/4885ITGA2B 4112/4885

“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.