SCHEMBL6796549

SCHEMBL6796549

CCCCCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CTSK P43235 2/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
MC4R P32245 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL6830642 0.89 CTSK (0.47) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6916267 0.87 CTSK (0.46) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6796934 0.85 PPARA (0.49) PPARGPPARACTSKITGA4ITGB7
SCHEMBL6804095 0.85 MME (0.43) MC4RPTPN1
SCHEMBL6796546 0.84 REN (0.45) CTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL6798148 0.81 MC4R (0.58) MC4R
SCHEMBL6830779 0.79 PPARG (0.49) PPARGPPARACTSKITGA4ITGB7
SCHEMBL9438871 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6800878 0.79 PPARA (0.53) PPARGPPARACTSKITGA4ITGB7
SCHEMBL6808536 0.79 REN (0.63) PPARGPPARACTSKITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US 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 (2 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PPARG 1690/4885PPARA 2404/4885CTSK 4093/4885
US-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE PPARG 1041/4885PPARA 1031/4885CTSK 2457/4885

“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.