Sugi Predict

Sugi Predict / Compounds / SCHEMBL13112930

SCHEMBL13112930

SCHEMBL13112930

COC(=O)[C@H](C)N(CCCBr)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41

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
SCHEMBL13112931 0.97 NPSR1 (0.43) NPSR1MMP1MMP2MMP9MMP8
SCHEMBL13112929 0.90 NPSR1 (0.42) NPSR1KMT2AMEN1
SCHEMBL3202545 0.85 PKM (0.47) NPSR1MMP1MMP2MMP9MMP8
SCHEMBL13165155 0.83 CA12 (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13112923 0.83 MMP1 (0.40) MMP1MMP2MMP9MMP13
SCHEMBL13112932 0.82 MMP1 (0.39) NPSR1MMP1MMP2MMP9MMP8
SCHEMBL13112933 0.82 MMP1 (0.38) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5748413 0.79 PKM (0.43) NPSR1MMP1MMP2MMP9MMP8
SCHEMBL13165150 0.78 MMP1 (0.37) MMP1MMP2MMP9MMP8MMP13
SCHEMBL14499654 0.77 MEN1 (0.46) NPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835602-B2 Templates for nucleation and propagation of peptide secondary structure INDIAN INSTITUTE OF SCIENCE (IN) 2014-09-16 — — US disclosed
US-8835602-B2 Templates for nucleation and propagation of peptide secondary structure INDIAN INSTITUTE OF SCIENCE (IN) 2014-09-16 — — US disclosed
US-8563686-B2 Conformationally constrained peptide mimetics INDIAN INSTITUTE OF SCIENCE (IN) 2013-10-22 — — US disclosed
US-8563686-B2 Conformationally constrained peptide mimetics INDIAN INSTITUTE OF SCIENCE (IN) 2013-10-22 — — US disclosed
US-20100261871-A1 CONFORMATIONALLY CONSTRAINED PEPTIDE MIMETICS INDIAN INSTITUTE OF SCIENCE 2010-10-14 — — US disclosed
US-20100261871-A1 CONFORMATIONALLY CONSTRAINED PEPTIDE MIMETICS INDIAN INSTITUTE OF SCIENCE 2010-10-14 — — US disclosed
US-20100228004-A1 TEMPLATES FOR NUCLEATION AND PROPAGATION OF PEPTIDE SECONDARY STRUCTURE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2010-09-09 — — US disclosed
US-20100228004-A1 TEMPLATES FOR NUCLEATION AND PROPAGATION OF PEPTIDE SECONDARY STRUCTURE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2010-09-09 — — 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 (2 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-20100228004-A1 TEMPLATES FOR NUCLEATION AND PROPAGATION OF PEPTIDE SECONDARY STRUCTURE IAPP, NGLY1, HDGF NPSR1 215/4885MMP1 689/4885MMP2 587/4885
US-20100261871-A1 CONFORMATIONALLY CONSTRAINED PEPTIDE MIMETICS IAPP, VIP, HM13 NPSR1 504/4885MMP1 3057/4885MMP2 1631/4885

“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.