SCHEMBL96651

SCHEMBL96651

CS(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.68
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA6 P23280 1/20 0.61
▸ CA5A P35218 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CA5B Q9Y2D0 1/20 0.61
▸ ENPP2 Q13822 2/20 0.56
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL5893459 0.94 PTGS2 (0.72) PTGS2CA1CA2CA12CA4
SCHEMBL8485289 0.87 PTGS2 (0.70) PTGS2
SCHEMBL8655486 0.82 PTGS2 (1.00) PTGS2
SCHEMBL8974092 0.82 PTGS2 (0.63) PTGS2CA1CA2CA12CA4
SCHEMBL8062129 0.82 CA1 (0.56) PTGS2CA1CA2CA12CA4
SCHEMBL23803137 0.82 CA1 (0.57) PTGS2CA1CA2CA12CA4
SCHEMBL1434498 0.82 CA2 (0.64) PTGS2CA1CA2CA12CA4
SCHEMBL13231429 0.80 ENPP2 (0.54) PTGS2CA1CA2CA12CA9
SCHEMBL156259 0.80 CA2 (0.67) PTGS2CA1CA2CA12CA4
Tetrabuthylammonium SCHEMBL29130219 0.80 PTGS2 (0.49) PTGS2CA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874058-B Mixed medicament and preparation method and application thereof 杭州尚善若水环保科技有限公司 2023-12-15 — — CN claimed
CN-111205452-A Phenolphthalein type high-dielectric polyarylether resin with side chain containing methylsulfonyl and preparation method thereof 长安大学 2020-05-29 — — CN claimed
CN-111187406-A Bisphenol acid type polyarylether dielectric material with side chain containing methylsulfonyl and preparation method thereof 长安大学 2020-05-22 — — CN claimed
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 — — EP claimed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 — — US claimed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 — — US claimed
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 — — CN claimed
CN-102827042-A Chiral synthesis method of florfenicol HUBEI MASTEAM BIO TECHNOLOGY CO LTD 2012-12-19 — — CN claimed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 — — CN claimed
JP-4537315-B2 — — 2010-09-01 — — JP claimed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 — — US claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 — — EP claimed
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 — — EP claimed
JP-2006510736-A — — 2006-03-30 — — JP claimed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 — — WO claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 — — EP claimed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — US claimed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 — — US claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 — — US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 PTGS2 703/4885CA1 2219/4885CA2 699/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R PTGS2 127/4885CA1 4081/4885CA2 3459/4885
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 PTGS2 893/4885CA1 3459/4885CA2 1109/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 PTGS2 1053/4885CA1 4704/4885CA2 4664/4885

“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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