Sugi Predict

Sugi Predict / Compounds / SCHEMBL13112925

SCHEMBL13112925

SCHEMBL13112925

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ F2 P00734 2/20 0.53
▸ PRSS1 P07477 2/20 0.53
▸ PRSS2 P07478 2/20 0.53
▸ PRSS3 P35030 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ PKM P14618 1/20 0.51
▸ SLC10A6 Q3KNW5 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 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
SCHEMBL3187347 1.00 CA1 (0.56) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL5750026 0.93 F2 (0.50) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL5750025 0.93 F2 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL14499650 0.90 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL4182094 0.88 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL4182099 0.88 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL18379892 0.86 AR (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11527174 0.86 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL5638270 0.86 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL12207830 0.86 CA1 (0.59) CA1CA2MMP1MMP2MMP9

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 CA1 553/4885CA2 1924/4885MMP1 689/4885
US-20100261871-A1 CONFORMATIONALLY CONSTRAINED PEPTIDE MIMETICS IAPP, VIP, HM13 CA1 234/4885CA2 2760/4885MMP1 3057/4885

“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.