SCHEMBL6800465

SCHEMBL6800465

CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.58
CTSK P43235 6/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
AKT1 P31749 1/20 0.56
ALDH1A1 P00352 1/20 0.54
PTPN1 P18031 3/20 0.53
CA2 P00918 1/20 0.53
BCL2 P10415 1/20 0.52
PTPRA P18433 1/20 0.52
P4HB P07237 1/20 0.52
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL6800473 1.00 CTSS (0.58) CTSSCTSKCTSLCTSBAKT1
SCHEMBL18830579 0.93 CTSS (0.61) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6796552 0.91 PTPN1 (0.65) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6802123 0.88 PTPN1 (0.57) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6802112 0.88 PTPN1 (0.57) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6803290 0.88 PTPN1 (0.57) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6803127 0.87 CTSS (0.63) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6803382 0.87 CTSS (0.63) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6803119 0.87 CTSS (0.63) CTSSCTSKCTSLCTSBAKT1
SCHEMBL4650423 0.87 BCL2 (0.53) CTSSCTSKCTSLCTSBAKT1

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 CTSS 1861/4885CTSK 2457/4885CTSL 2677/4885

“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.