SCHEMBL6796552

SCHEMBL6796552

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.65
PTPRA P18433 1/20 0.59
CTSS P25774 4/20 0.56
CTSK P43235 4/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
AKT1 P31749 1/20 0.55
P4HB P07237 1/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL6802112 0.94 PTPN1 (0.57) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL6802123 0.94 PTPN1 (0.57) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL6803290 0.94 PTPN1 (0.57) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL6800473 0.91 CTSS (0.58) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL6800465 0.91 CTSS (0.58) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL7064457 0.88 CTSK (0.69) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL18830579 0.88 CTSS (0.61) CTSSCTSKCTSLCTSBAKT1
SCHEMBL31628716 0.87 PTPN1 (0.68) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL31628753 0.87 PTPN1 (0.68) PTPN1PTPRACTSSCTSKCTSL
SCHEMBL31628751 0.87 PTPN1 (0.68) PTPN1PTPRACTSSCTSKCTSL

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 PTPN1 12/4885PTPRA 21/4885CTSS 1861/4885

“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.