SCHEMBL2616102

SCHEMBL2616102

Cc1ccc2nc(S(N)(=O)=O)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.69
CA1 P00915 6/20 0.69
CA4 P22748 4/20 0.69
CA12 O43570 3/20 0.67
CA5A P35218 3/20 0.67
CA14 Q9ULX7 3/20 0.67
CA6 P23280 2/20 0.67
CA9 Q16790 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
CA7 P43166 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CA3 P07451 1/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL14317794 0.87 CA2 (0.67) CA2CA1CA4CA12CA5A
SCHEMBL14065773 0.85 NPC1 (0.60) CA2CA1CA4CA12CA5A
SCHEMBL32679833 0.82 RAB9A (0.56) CA2CA1CA4CA12CA5A
SCHEMBL32679834 0.82 RAB9A (0.56) CA2CA1CA4CA12CA5A
SCHEMBL9459715 0.81 CA2 (1.00) CA2CA1CA4CA12CA5A
SCHEMBL10473056 0.80 CA2 (0.69) CA2CA1CA4CA12CA5A
SCHEMBL160105 0.80 CA2 (1.00) CA2CA1CA4CA12CA5A
SCHEMBL10473137 0.80 CA2 (0.69) CA2CA1CA4CA12CA5A
SCHEMBL10474766 0.80 CA2 (0.69) CA2CA1CA4CA12CA5A
SCHEMBL11093599 0.80 CA2 (0.86) CA2CA1CA4CA12CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES of Queen Elizabeth near Dublin 2012-04-19 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 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-20120094963-A1 TARGETING PRODRUGS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES PTGS2, SI, PTGS1 CA2 694/4885CA1 402/4885CA4 1117/4885
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF AQP4, AQP1, AQP3 CA2 187/4885CA1 563/4885CA4 386/4885

“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.