SCHEMBL999002

SCHEMBL999002

Nc1c(Br)cc(S(=O)(=O)C(F)(F)F)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.59
CA1 P00915 5/20 0.59
CA9 Q16790 5/20 0.59
CA3 P07451 1/20 0.59
ALDH1A1 P00352 1/20 0.50
EPAS1 Q99814 11/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7750641 0.90 ALDH1A1 (0.55) CA2CA1CA9CA3ALDH1A1
SCHEMBL697889 0.88 CA2 (0.55) CA2CA1CA9CA3ALDH1A1
SCHEMBL697711 0.84 CA2 (0.55) CA2CA1CA9CA3ALDH1A1
SCHEMBL7745986 0.83 ALDH1A1 (0.51) CA2CA1CA9CA3ALDH1A1
SCHEMBL699249 0.81 CA2 (0.52) CA2CA1CA9CA3ALDH1A1
SCHEMBL699101 0.80 CA1 (0.50) CA2CA1CA9CA3
SCHEMBL20526549 0.79 ALDH1A1 (0.70) CA2CA1CA9ALDH1A1EPAS1
SCHEMBL1334378 0.77 ALDH1A1 (0.54) CA2CA1ALDH1A1EPAS1CA7
SCHEMBL7772190 0.76 CA2 (0.67) CA2CA1CA9CA3GAA
SCHEMBL13807378 0.76 ALDH1A1 (0.45) ALDH1A1EPAS1LMNA

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
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
EP-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 WO disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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 (3 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CA2 184/4885CA1 655/4885CA9 2035/4885
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 CA2 1318/4885CA1 1712/4885CA9 1537/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CA2 82/4885CA1 328/4885CA9 1278/4885

“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.