SCHEMBL6796546

SCHEMBL6796546

CC(CCCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.45
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ACE P12821 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.40
SCN9A Q15858 2/20 0.40

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
SCHEMBL6916264 0.85 REN (0.45) RENCTSSCTSKCTSLCTSB
SCHEMBL6804092 0.84 TACR3 (0.45) ACE
SCHEMBL6796549 0.84 PPARG (0.45) CTSSCTSKCTSLCTSB
SCHEMBL6830642 0.81 CTSK (0.47) RENCTSSCTSKCTSLCTSB
SCHEMBL6916267 0.79 CTSK (0.46) RENCTSSCTSKCTSLCTSB
SCHEMBL6796934 0.77 PPARA (0.49) RENCTSSCTSKCTSLCTSB
SCHEMBL11599291 0.75 ACE (0.50) RENCTSSCTSKCTSLCTSB
SCHEMBL10622245 0.75 CTSS (0.44) RENCTSSCTSKCTSLCTSB
SCHEMBL10624936 0.75 CTSS (0.44) RENCTSSCTSKCTSLCTSB
SCHEMBL23296454 0.74 P4HB (0.64) RENCTSSCTSKCTSLCTSB

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE REN 343/4885CTSS 1861/4885CTSK 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.