SCHEMBL96650

SCHEMBL96650

CS(=O)(=O)c1ccc(C[O])cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.52
PTGS2 P35354 3/20 0.46
CA2 P00918 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
DAO P14920 1/20 0.41
PSIP1 O75475 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL7575362 0.83 ENPP2 (0.50) ENPP2PTGS2CA2KCNJ1KCNH2
SCHEMBL13231429 0.82 ENPP2 (0.54) ENPP2PTGS2CA2
SCHEMBL2376239 0.81 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL172035 0.80 CA2 (0.64) ENPP2PTGS2CA2DAOPSIP1
SCHEMBL1751990 0.78 ENPP2 (0.50) ENPP2PTGS2CA2KCNJ1KCNH2
SCHEMBL10453282 0.78 ENPP2 (0.50) ENPP2PTGS2KCNJ1KCNH2DAO
SCHEMBL4949390 0.78 ENPP2 (0.50) ENPP2PTGS2CA2KCNJ1KCNH2
SCHEMBL22316942 0.78 ENPP2 (0.50) ENPP2PTGS2CA2KCNJ1KCNH2
SCHEMBL240747 0.78 ENPP2 (0.50) ENPP2PTGS2CA2KCNJ1KCNH2
SCHEMBL201356 0.78 PSIP1 (0.65) ENPP2PTGS2CA2PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101795688-B Application of 4- (pyrrolidine-1-yl) quinoline compound in preparation of medicine for killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD 2015-05-20 CN claimed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US claimed
JP-4537315-B2 2010-09-01 JP claimed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US claimed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US 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
CN-1731993-A Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis c viral infections and associated diseases VIROPHARMA INC (US) 2006-02-08 CN 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
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP 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 (6 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ENPP2 4028/4885PTGS2 1053/4885CA2 4664/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 ENPP2 1769/4885PTGS2 703/4885CA2 699/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S ENPP2 72/4885PTGS2 141/4885CA2 4418/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R ENPP2 123/4885PTGS2 127/4885CA2 3459/4885
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 ENPP2 1920/4885PTGS2 893/4885CA2 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 ENPP2 4028/4885PTGS2 1053/4885CA2 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.