SCHEMBL1833191

SCHEMBL1833191

O=[C]NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
MMP2 P08253 5/20 0.50
MMP9 P14780 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50
ADAMTS4 O75173 1/20 0.50
ACE P12821 2/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49

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
SCHEMBL1792999 1.00 MME (0.54) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL4124660 0.87 EPHX1 (0.51) MMECYP1A2
SCHEMBL10663672 0.86 FOLH1 (0.54) MMENAALAD2L3MBTL1FOLH1ACE
SCHEMBL2703292 0.86 FOLH1 (0.54) MMENAALAD2L3MBTL1FOLH1ACE
SCHEMBL23249767 0.84 MME (0.57) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL2492587 0.84 MME (0.57) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL457886 0.84 MME (0.53) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL2492588 0.84 MME (0.57) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL457887 0.84 MME (0.53) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL3499881 0.83 ATM (0.58) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP claimed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US claimed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP claimed
US-4749691-A Peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-07 US claimed
US-4725582-A IMMUNE RESPONSE ENHANCERS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1988-02-16 US claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0276124-B1 PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1992-05-20 EP disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-4981872-A ANTIULCER SANKYO COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0276124-A2 Prostaglandin derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1988-07-27 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 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 (3 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MME 49/4885NPSR1 2998/4885CYP1A2 462/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MME 2385/4885NPSR1 471/4885CYP1A2 495/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MME 2385/4885NPSR1 471/4885CYP1A2 495/4885

“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.