SCHEMBL5169740

SCHEMBL5169740

O=S(=O)(Nn1cccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KAT6A Q92794 4/20 0.43
IL1RN P18510 1/20 0.42
KEAP1 Q14145 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6365962 0.74 CA1 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL16720110 0.72 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL6305580 0.72 POLB (0.33) KEAP1MEN1KMT2AALDH1A1PKM
SCHEMBL6916246 0.71 CA1 (0.41) CYP2C9CA1CA2MMP1MMP2
SCHEMBL4036900 0.70 ALDH1A1 (0.52) KEAP1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4254051 0.69 POLB (0.54) CYP2C9MMP2MEN1KMT2ALMNA
SCHEMBL27127795 0.68 CYP2C9 (0.43) CYP2C9CA1CA2MMP1MMP2
SCHEMBL9713098 0.67 CYP3A4 (0.49) CYP2C9CA1KAT6AMEN1KMT2A
SCHEMBL8639257 0.66 ADRA2A (0.42) CYP2C9CA1CA2MMP1MMP2
SCHEMBL8545489 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405455-B1 2-OXINDOLE COMPOUNDS CHEMOCENTRYX INC (US) 2024-02-28 EP disclosed
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2020-03-24 US disclosed
CN-107266425-B Pyrazol-1-yl benzene sulfonamides as CCR9 antagonists 坎莫森特里克斯公司 2020-03-03 CN disclosed
CN-107266425-B Pyrazol-1-yl benzene sulfonamides as CCR9 antagonists 坎莫森特里克斯公司 2020-03-03 CN disclosed
CN-107266425-B Pyrazol-1-yl benzene sulfonamides as CCR9 antagonists 坎莫森特里克斯公司 2020-03-03 CN disclosed
US-10137120-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2018-11-27 US disclosed
CN-107266425-A Pyrazol-1-yl benzene sulfonamides as CCR9 antagonists 坎莫森特里克斯公司 2017-10-20 CN disclosed
CN-104520288-B Pyrazol-1-yl benzene sulfonamides as ccr9 antagonists 坎莫森特里克斯公司 2017-05-17 CN disclosed
CN-104520288-B Pyrazol-1-yl benzene sulfonamides as ccr9 antagonists 坎莫森特里克斯公司 2017-05-17 CN disclosed
CN-104520288-A Pyrazol-1-yl benzene sulfonamides as ccr9 antagonists CHEMOCENTRYX 2015-04-15 CN disclosed
CN-1371286-A Use of cyclooxygenase-2 inhibitor matrix metallappoteinase inhibitor antineoplastic agent and optionally radiation as combination treatment of neoplasia SEARLE & CO (US) 2002-09-25 CN disclosed
EP-1140183-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1027048-A2 SELECTIVE CYCLOOXYGENASE-2 INHIBITORS AGAINST PREMATURE LABOR G.D. SEARLE & CO. (US) 2000-08-16 EP disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
CN-1247470-A Methods of using cyclooxygenase-2 inhibitors as anti-angiogenic agents SEARLE & CO (US) 2000-03-15 CN disclosed
CN-1244122-A Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors SEARLE & CO (US) 2000-02-09 CN disclosed
US-5972986-A USING PHENYLSULFONAMIDE CONTAINING COMPOUND G.D. SEARLE & CO. (US) 1999-10-26 US disclosed
WO-1999022720-A2 SELECTIVE CYCLOOXYGENASE-2 INHIBITORS AGAINST PREMATURE LABOR G.D. SEARLE & CO. (US) 1999-05-14 WO disclosed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5516907-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-05-14 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-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 CYP2C9 1243/4885CA1 2892/4885CA2 3658/4885
US-10137120-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 CYP2C9 1243/4885CA1 2892/4885CA2 3658/4885

“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.