SCHEMBL866499

SCHEMBL866499

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.64
CA12 O43570 15/20 0.64
CA9 Q16790 15/20 0.64
CA1 P00915 15/20 0.64
CA4 P22748 7/20 0.64
CA14 Q9ULX7 7/20 0.64
CA5A P35218 7/20 0.54
CA7 P43166 7/20 0.54
CA5B Q9Y2D0 7/20 0.54
CA6 P23280 6/20 0.54
CA13 Q8N1Q1 3/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AGO2 Q9UKV8 1/20 0.54
CA3 P07451 3/20 0.52
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
PLA2G7 Q13093 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 0.81 CA2 (0.81) CA2CA12CA9CA1CA4
SCHEMBL6335571 0.78 CA2 (0.61) CA2CA12CA9CA1CA4
SCHEMBL6019009 0.78 CA2 (1.00) CA2CA12CA9CA1CA4
SCHEMBL329973 0.78 CA2 (0.88) CA2CA12CA9CA1CA4
SCHEMBL1066580 0.78 CA2 (1.00) CA2CA12CA9CA1CA4
Ammonia Solution, Strong SCHEMBL27578396 0.76 CA2 (0.84) CA2CA12CA9CA1CA4
SCHEMBL17161292 0.75 F2 (0.43) CA2CA12CA9CA1CA4
SCHEMBL4840191 0.75 LMNA (0.54) CA2CA12CA9CA1CA4
SCHEMBL3274288 0.75 ALDH1A1 (0.50) CA2CA12CA9CA1CA4
SCHEMBL3123896 0.75 ENPP2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
WO-2013034780-A2 PROCESS FOR THE PREPARATION OF ESTETROL AND RELATED COMPOUNDS CRYSTAL PHARMA, S.A.U. (ES) 2013-03-14 WO claimed
US-20120077779-A1 Inhibitors of Fibroblast Activation Protein Alpha TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 US claimed
US-20090221818-A1 Inhibitors of Fibroblast Activation Protein Alpha TRUSTEES OF TUFTS COLLEGE (US) 2009-09-03 US claimed
EP-1898899-A4 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN ALPHA TUFTS COLLEGE (US) 2009-07-29 EP claimed
CN-101247799-A Inhibitors of fibroblast activation protein alpha TUFTS COLLEGE (US) 2008-08-20 CN claimed
EP-1898899-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN ALPHA TRUSTEES OF TUFTS COLLEGE (US) 2008-03-19 EP claimed
US-20050130228-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2005-06-16 US claimed
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 EP claimed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US claimed
CN-1427743-A Dosage forms of polymeric carriers, their use in organic chemical synthesis and process for producing said dosage forms LONDBERK AS H (DK) 2003-07-02 CN claimed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP claimed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO claimed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 EP claimed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 WO claimed
US-4883797-A CARDIOVASCULAR PROPERTIES; INCREASING CEREBRAL FLOW FERRER INTERNACIONAL, S.A. (ES) 1989-11-28 US claimed
EP-0097340-A2 Piperazine derivatives, a process for preparing them and pharmaceutical compositions FERRER INTERNACIONAL, S.A. (ES) 1984-01-04 EP 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 (5 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CA2 1286/4885CA12 4094/4885CA9 3364/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CA2 1288/4885CA12 4090/4885CA9 3361/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CA2 1288/4885CA12 4090/4885CA9 3361/4885
US-20120077779-A1 Inhibitors of Fibroblast Activation Protein Alpha FIBP, FAP, BCAP31 CA2 697/4885CA12 1787/4885CA9 837/4885
US-20090221818-A1 Inhibitors of Fibroblast Activation Protein Alpha FIBP, FAP, BCAP31 CA2 697/4885CA12 1787/4885CA9 837/4885

“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.