SCHEMBL5018973

SCHEMBL5018973

CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.55
CA1 P00915 6/20 0.55
CA9 Q16790 6/20 0.55
CA12 O43570 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA5A P35218 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
HSD17B10 Q99714 2/20 0.50
MMP2 P08253 2/20 0.50
ACHE P22303 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL30888176 0.83 CA2 (0.59) CA2CA1CA9CA12CA14
SCHEMBL22955424 0.81 CA1 (0.49) CA2CA1CA9CA12CA14
SCHEMBL752448 0.81 CA2 (0.57) CA2CA1CA9CA12CA14
SCHEMBL752449 0.81 CA2 (0.57) CA2CA1CA9CA12CA14
SCHEMBL24590337 0.80 KMT2A (0.66) CA2CA1CA9CA12CA5A
SCHEMBL11093420 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL8142887 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL9190432 0.78 CA1 (0.46) CA2CA1CA9CA12CA14
SCHEMBL9194140 0.78 CA1 (0.46) CA2CA1CA9CA12CA14
SCHEMBL16940170 0.76 CA1 (0.52) CA2CA1CA9CA12CA14

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
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 US disclosed
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein ITI SCOTLAND LIMITED (GB) 2014-10-23 US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090133747-A1 COMPOUND HAVING PHOTOSENSITIZATION ACTIVITY, PHOTOELECTRODE, AND PHOTOSENSITIZATION-TYPE SOLAR CELL CREDIA JAPAN CO., LTD. ( A juridical person under the laws of Japan) (JP) 2009-05-28 US disclosed
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-09-25 US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 US disclosed
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-22 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 (9 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 CA2 1740/4885CA1 1270/4885CA9 1596/4885
US-20070066653-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRL1, OPRD1 CA2 2121/4885CA1 4201/4885CA9 3399/4885
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 CA2 2014/4885CA1 4245/4885CA9 4777/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 CA2 1511/4885CA1 3749/4885CA9 1248/4885
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 CA2 2014/4885CA1 4245/4885CA9 4777/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 CA2 4166/4885CA1 4031/4885CA9 3966/4885
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same NGLY1, ELOVL6, ELOVL1 CA2 2507/4885CA1 1005/4885CA9 2059/4885
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein TARDBP, EPS15, TTC14 CA2 4703/4885CA1 4811/4885CA9 4739/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 CA2 584/4885CA1 520/4885CA9 1113/4885

“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.