SCHEMBL6804098

SCHEMBL6804098

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.65
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
FOLH1 Q04609 1/20 0.52
GRIA1 P42261 1/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CHRND Q07001 5/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 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
SCHEMBL23086284 0.87 PTPN1 (0.68) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6918308 0.86 PTPN1 (0.69) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6798151 0.85 MMP2 (0.51) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4740245 0.84 CHRNB2 (0.65) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21356920 0.84 CHRNB2 (0.65) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21356921 0.84 CHRNB2 (0.65) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6796552 0.83 PTPN1 (0.65) PTPN1
SCHEMBL6807834 0.83 PTPN1 (0.65) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14765234 0.82 CHRNB2 (0.64) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6574908 0.82 PTPN1 (0.66) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 12/4885CHRNB2 4791/4885CHRNB4 4826/4885

“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.