SCHEMBL7065015

SCHEMBL7065015

CCCCCNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
PLG P00747 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
GRIA1 P42261 2/20 0.46
SSTR3 P32745 1/20 0.46
PTPN1 P18031 1/20 0.46
CHRND Q07001 5/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
ALDH1A1 P00352 2/20 0.45
EPHX1 P07099 1/20 0.45
PLAU P00749 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44

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 0.82 PTPN1 (0.57) MGLLPLGPRSS1PRSS2PRSS3
SCHEMBL6803290 0.82 PTPN1 (0.57) MGLLPLGPRSS1PRSS2PRSS3
SCHEMBL6802123 0.82 PTPN1 (0.57) MGLLPLGPRSS1PRSS2PRSS3
SCHEMBL7065966 0.81 PTPN1 (0.55) MGLLPLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6798151 0.81 MMP2 (0.51) PLGPRSS1PRSS2PRSS3SSTR3
SCHEMBL7064628 0.79 MMP2 (0.55) MGLLALDH1A1
SCHEMBL6804098 0.79 PTPN1 (0.65) PLGPRSS1PRSS2PRSS3GRIA1
Hydrochloric Acid SCHEMBL6802090 0.78 MMP2 (0.54) MGLLALDH1A1
SCHEMBL6796552 0.78 PTPN1 (0.65) PTPN1
SCHEMBL11209498 0.77 GRIA1 (0.52) GRIA1PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 MGLL 4183/4885PLG 4580/4885PRSS1 2442/4885

“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.