SCHEMBL6059744

SCHEMBL6059744

COC(=O)[C@H](C)N=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.52
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MIF P14174 4/20 0.43
▸ NPFFR2 Q9Y5X5 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PYGL P06737 1/20 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
SCHEMBL6060225 1.00 NOS2 (0.52) NOS2NOS3NOS1HPGDLMNA
SCHEMBL6059739 1.00 NOS2 (0.52) NOS2NOS3NOS1HPGDLMNA
SCHEMBL6060227 1.00 NOS2 (0.52) NOS2NOS3NOS1HPGDLMNA
SCHEMBL7420415 0.83 NOS2 (0.49) NOS2NOS3NOS1LMNAMIF
SCHEMBL7420416 0.83 NOS2 (0.49) NOS2NOS3NOS1LMNAMIF
SCHEMBL6995211 0.83 NPFFR2 (0.45) NOS2NOS3NOS1HPGDNPFFR2
SCHEMBL6992245 0.83 NOS2 (0.49) NOS2NOS3NOS1LMNAMIF
SCHEMBL6995209 0.83 NPFFR2 (0.45) NOS2NOS3NOS1HPGDNPFFR2
SCHEMBL6992247 0.83 NOS2 (0.49) NOS2NOS3NOS1LMNAMIF
SCHEMBL28364140 0.81 CHRM5 (0.47) HPGDLMNAKMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012098-B2 Inhibitors of inducible nitric oxide synthase for chemoprevention and treatment of cancers PHARMACIA CORPORATION (US) 2006-03-14 — — US disclosed
EP-1463495-A4 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORP (US) 2005-11-16 — — EP disclosed
US-6951889-B2 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-10-04 — — US disclosed
US-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents PHARMACIA CORPORATION 2005-09-15 — — US disclosed
EP-1429777-A4 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORP (US) 2005-06-22 — — EP disclosed
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-05-26 — — US disclosed
EP-1528921-A2 METHODS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL CONDITIONS Pharmacia Corporation (US) 2005-05-11 — — EP disclosed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 — — WO disclosed
EP-1317421-B1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2005-02-23 — — EP disclosed
EP-1505972-A2 A SELECTIVE INOS INHIBITOR AND A PDE INHIBITOR IN COMBINATION FOR THE TREATMENT OF RESPIRATORY DISEASES Pharmacia Corporation (US) 2005-02-16 — — EP disclosed
WO-2003097163-A2 USING A SELECTIVE INOS INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES AND CONDITIONS PHARMACIA CORPORATION (US) 2003-11-27 — — WO disclosed
US-20030119826-A1 Neuroprotective treatment methods using selective iNOS inhibitors PHARMACIA CORPORATION 2003-06-26 — — US disclosed
US-20030109522-A1 Ophthalmologic treatment methods using selective iNOS inhibitors PHARMACIA CORPORATION 2003-06-12 — — US disclosed
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 — — EP disclosed
WO-2003026638-A1 NEUROPROTECTIVE TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 — — WO disclosed
WO-2003026668-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 — — WO disclosed
US-20030013702-A1 Agents and methods for treatment of cancer PHARMACIA CORPORATION 2003-01-16 — — US disclosed
WO-2002076395-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-03 — — WO disclosed
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-09-19 — — US disclosed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 — — 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-20030013702-A1 Agents and methods for treatment of cancer FAP, APC, PTGIS NOS2 11/4885NOS3 22/4885NOS1 20/4885
US-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents NOS2, NOS1, NOS3 NOS2 1/4885NOS3 3/4885NOS1 2/4885
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 NOS2 8/4885NOS3 14/4885NOS1 10/4885
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 NOS2 8/4885NOS3 14/4885NOS1 10/4885
US-20030109522-A1 Ophthalmologic treatment methods using selective iNOS inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS3 3/4885NOS1 2/4885
US-20030119826-A1 Neuroprotective treatment methods using selective iNOS inhibitors NOS2, NOS1, NLN NOS2 1/4885NOS3 4/4885NOS1 2/4885

“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.

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