SCHEMBL3516838

SCHEMBL3516838

Bc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 17/20 0.62
▸ CA9 Q16790 13/20 0.62
▸ CA12 O43570 12/20 0.62
▸ CA1 P00915 14/20 0.59
▸ CA5A P35218 8/20 0.59
▸ CA7 P43166 8/20 0.59
▸ CA5B Q9Y2D0 8/20 0.59
▸ CA6 P23280 6/20 0.59
▸ CA4 P22748 6/20 0.59
▸ CA14 Q9ULX7 6/20 0.59
▸ CA13 Q8N1Q1 3/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ AGO2 Q9UKV8 1/20 0.59
▸ CA3 P07451 3/20 0.56
▸ PLA2G7 Q13093 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ MAPT P10636 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
SCHEMBL202948 0.85 CA2 (0.81) CA2CA9CA12CA1CA5A
SCHEMBL21627142 0.77 ALDH1A1 (0.52) TSHRALDH1A1MAPT
SCHEMBL10493509 0.77 CA2 (0.68) CA2CA9CA12CA1CA5A
SCHEMBL1805283 0.74 CA2 (0.65) CA2CA9CA12CA1CA5A
Sulfanilamide SCHEMBL31544839 0.74 CA2 (1.00) CA2CA9CA12CA1CA5A
Sulfanilamide SCHEMBL740 0.74 CA2 (1.00) CA2CA9CA12CA1CA5A
Sulfanilamide SCHEMBL30659052 0.74 CA2 (1.00) CA2CA9CA12CA1CA5A
Sulfanilamide SCHEMBL2798899 0.74 CA2 (1.00) CA2CA9CA12CA1CA5A
SCHEMBL24934348 0.72 LMNA (0.59) CA2CA12CA1CA7CA14
SCHEMBL1804514 0.72 CA2 (0.62) CA2CA9CA12CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 — — CN disclosed
CN-108026110-A Fused tricyclic compounds as kinases inhibitor 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2018-05-11 — — CN disclosed
US-9447037-B2 4-(5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethyl-1H-pyrrol-3-yl)benzenesulfonamide as alpha 7 nAChR modulator LUPIN LIMITED (IN) 2016-09-20 — — US disclosed
US-20160107990-A1 4-(5-(4-CHLOROPHENYL)-2-(2-CYCLOPROPYLACETYL)-1,4-DIMETHYL-1H-PYRROL-3-YL)BENZENESULFONAMIDE AS ALPHA 7 NACHR MODULATOR LUPIN LIMITED (IN) 2016-04-21 — — US disclosed
US-8222807-B2 Organic electroluminescence device and method of producing organic device MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-17 — — US disclosed
US-8222807-B2 Organic electroluminescence device and method of producing organic device MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 — — US disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 — — US disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 — — US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 — — US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 — — EP disclosed
US-20090309070-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-17 — — US disclosed
US-20090033208-A1 FILM FORMING COMPOSITION AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-02-05 — — US disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 — — 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 (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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A CA2 3368/4885CA9 4460/4885CA12 4808/4885
US-20160107990-A1 4-(5-(4-CHLOROPHENYL)-2-(2-CYCLOPROPYLACETYL)-1,4-DIMETHYL-1H-PYRROL-3-YL)BENZENESULFONAMIDE AS ALPHA 7 NACHR MODULATOR CHRNA7, CHRNA4, CHRNE CA2 2571/4885CA9 3588/4885CA12 4365/4885

“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.

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