SCHEMBL2835612

SCHEMBL2835612

NNS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CYP1A2 P05177 1/20 0.68
F2 P00734 3/20 0.65
PRSS1 P07477 3/20 0.65
PRSS2 P07478 3/20 0.65
PRSS3 P35030 3/20 0.65
CYP2C19 P33261 1/20 0.62
MEP1B Q16820 2/20 0.59
AKR1C3 P42330 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
PTK2B Q14289 1/20 0.57
KMT2A Q03164 3/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PFKFB3 Q16875 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL5991904 0.84 CYP1A2 (0.53) CA1CA2CYP1A2F2PRSS1
SCHEMBL15629008 0.84 ALDH1A1 (0.63) CA1CA2CYP1A2F2PRSS1
SCHEMBL3245644 0.84 CA1 (0.68) CA1CA2F2PRSS1PRSS2
SCHEMBL22916896 0.84 CA1 (0.68) CA1CA2F2PRSS1PRSS2
SCHEMBL3366244 0.82 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL35539 0.82 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL25517678 0.82 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL30147625 0.82 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL10611041 0.81 CYP1A2 (1.00) CA1CA2CYP1A2F2PRSS1
SCHEMBL148204 0.80 CA2 (0.54) CA1CA2CYP1A2F2PRSS1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US claimed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
US-6440896-B1 FIRST DEVELOPER SOLUTION AND DISTINCT SECOND DEVELOPER SOLUTION PRODUCE DIFFERENT COLORS; COLOR STABILITY, WEAR RESISTANCE; INCORPORATING WITHIN A PROTECTIVE MEDIUM EASTMAN KODAK COMPANY 2002-08-27 US claimed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO claimed
US-6197722-B1 STORAGE STABILITY; IMAGES HAVING COLOR SATURATION AND COLOR GAMUT; INK JET PRINTING; NONSMEARING EASTMAN KODAK COMPANY 2001-03-06 US claimed
US-6143693-A STORAGE STABILITY; ENABLES TO PRODUCE IMAGES HAVING COLOR SATURATION AND COLOR GAMUT, RESISTANCE TO DARK AND LIGHT FADE, RESISTANCE TO IMAGE SMEAR AND RUB-OFF, MOISTURE AND HUMIDITY RESISTANCE EASTMAN KODAK COMPANY (US) 2000-11-07 US claimed
US-5137916-A Prevents, food spoilage, protein aging in animals THE ROCKEFELLER UNIVERSITY (US) 1992-08-11 US claimed
WO-1992002216-A2 ADVANCED GLYCATION INHIBITORS CONTAINING AMINO-BENZOIC ACIDS AND DERIVATIVES, AND METHODS OF USE THE ROCKEFELLER UNIVERSITY (US) 1992-02-20 WO claimed
WO-1992002216-A1 ADVANCED GLYCATION INHIBITORS CONTAINING AMINO-BENZOIC ACIDS AND DERIVATIVES, AND METHODS OF USE UNIV ROCKEFELLER (US) 1992-02-20 WO claimed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-6197722-B1 STORAGE STABILITY; IMAGES HAVING COLOR SATURATION AND COLOR GAMUT; INK JET PRINTING; NONSMEARING EASTMAN KODAK COMPANY 2001-03-06 US disclosed
US-6143693-A STORAGE STABILITY; ENABLES TO PRODUCE IMAGES HAVING COLOR SATURATION AND COLOR GAMUT, RESISTANCE TO DARK AND LIGHT FADE, RESISTANCE TO IMAGE SMEAR AND RUB-OFF, MOISTURE AND HUMIDITY RESISTANCE EASTMAN KODAK COMPANY (US) 2000-11-07 US disclosed
US-5272176-A Advanced glycation inhibitors containing amino-benzoic acids and derivatives, and methods of use THE ROCKEFELLER UNIVERSITY (US) 1993-12-21 US disclosed
US-5137916-A Prevents, food spoilage, protein aging in animals THE ROCKEFELLER UNIVERSITY (US) 1992-08-11 US disclosed
WO-1992002216-A1 ADVANCED GLYCATION INHIBITORS CONTAINING AMINO-BENZOIC ACIDS AND DERIVATIVES, AND METHODS OF USE UNIV ROCKEFELLER (US) 1992-02-20 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 (3 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT CA1 2034/4885CA2 1859/4885CYP1A2 1698/4885
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 CA1 3724/4885CA2 3098/4885CYP1A2 1603/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CA1 3729/4885CA2 3079/4885CYP1A2 1629/4885

“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.