SCHEMBL4861820

SCHEMBL4861820

Nc1ccccc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.65
CA9 Q16790 15/20 0.65
CA1 P00915 13/20 0.65
CA12 O43570 11/20 0.65
PTGS1 P23219 3/20 0.65
PTGS2 P35354 3/20 0.65
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CA14 Q9ULX7 4/20 0.55
DRD1 P21728 1/20 0.54
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA3 P07451 1/20 0.52
PLA2G7 Q13093 1/20 0.52
USP2 O75604 1/20 0.50
TSHR P16473 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
SCHEMBL1271133 0.86 ALDH1A1 (0.58) CA2CA9CA1CA12PTGS1
SCHEMBL6732932 0.84 CA12 (0.73) CA2CA9CA1CA12PTGS1
SCHEMBL4575215 0.83 CA2 (0.79) CA2CA9CA1CA12PTGS1
SCHEMBL10826584 0.82 ALDH1A1 (0.54) CA2CA9CA1CA12PTGS1
SCHEMBL399643 0.82 PTGS2 (0.69) PTGS1PTGS2ALDH1A1HSD17B10DRD1
Hydrochloric Acid SCHEMBL9311376 0.81 PTGS2 (0.67) PTGS1PTGS2ALDH1A1HSD17B10DRD1
SCHEMBL27954274 0.80 CA2 (0.65) CA2CA9CA1CA12PTGS1
SCHEMBL27516551 0.80 CA12 (0.65) CA2CA9CA1CA12PTGS1
SCHEMBL6480845 0.80 ALDH1A1 (0.83) ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6725783 0.78 PTGS2 (1.00) CA2CA9CA1CA12PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1015429-B1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-12 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
US-6552042-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 US disclosed
US-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa HAN QI (US) 2001-09-13 US disclosed
US-6207697-B1 AMIDINYL-SUBSTITUTED RINGS; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; STROKES; SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-03-27 US disclosed
EP-1015429-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA Du Pont Pharmaceuticals Company (US) 2000-07-05 EP disclosed
WO-1999012903-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-18 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CA2 3513/4885CA9 4738/4885CA1 4834/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CA2 4237/4885CA9 4836/4885CA1 4868/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CA2 3513/4885CA9 4738/4885CA1 4834/4885
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 CA2 1773/4885CA9 4149/4885CA1 4058/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CA2 3360/4885CA9 4678/4885CA1 4820/4885
US-20010021775-A1 Benzimidazolinones, benzoxazolinones, benzopiperazinones, indanones, and derivatives thereof as inhibitors of factor Xa F12, F13B, F11 CA2 1257/4885CA9 2090/4885CA1 2767/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CA2 3360/4885CA9 4678/4885CA1 4820/4885

“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.