SCHEMBL6802603

SCHEMBL6802603

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
REN P00797 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
APP P05067 1/20 0.41
MAPK1 P28482 1/20 0.40
PTPRB P23467 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
SCHEMBL6919468 0.90 PPARG (0.50) PPARGPPARARENAPP
SCHEMBL6796934 0.89 PPARA (0.49) PPARGPPARARENSMN1; SMN2NPC1
SCHEMBL6807847 0.89 CTSS (0.48) PPARGPPARA
SCHEMBL6799986 0.88 PPARG (0.49) PPARGPPARAREN
SCHEMBL6800420 0.87 PPARG (0.44) PPARGPPARASMN1; SMN2ALDH1A1NPC1
SCHEMBL6803095 0.86 PPARG (0.47) PPARGPPARAREN
SCHEMBL6807794 0.83 PTPRB (0.56) RENPTPRB
SCHEMBL4714186 0.81 PPARG (0.58) PPARGPPARAREN
SCHEMBL500111 0.81 PPARG (0.58) PPARGPPARAREN
SCHEMBL500110 0.81 PPARG (0.58) PPARGPPARAREN

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 PPARG 1041/4885PPARA 1031/4885REN 343/4885

“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.