SCHEMBL248932

SCHEMBL248932

CS(=O)(=O)NC(=O)c1cccc(Br)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
PTGS2 P35354 6/20 0.53
PTGS1 P23219 5/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
P4HTM Q9NXG6 2/20 0.42
CTSA P10619 1/20 0.41
P2RX7 Q99572 1/20 0.40
SCN9A Q15858 2/20 0.39
APLNR P35414 1/20 0.39
POLB P06746 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL18157976 0.88 PTGS1 (0.61) GRM5PTGS2PTGS1ALDH1A1P4HTM
SCHEMBL10183364 0.84 ALDH1A1 (0.52) GRM5PTGS2PTGS1ALDH1A1HPGD
SCHEMBL10182131 0.83 GRM5 (0.50) GRM5PTGS2PTGS1ALDH1A1HPGD
SCHEMBL31326433 0.82 APLNR (0.55) PTGS2PTGS1P4HTMCTSASCN9A
SCHEMBL10182186 0.80 PTGS1 (0.53) GRM5PTGS2PTGS1ALDH1A1P4HTM
SCHEMBL30742464 0.80 PTGS1 (0.53) GRM5PTGS2PTGS1ALDH1A1P4HTM
SCHEMBL10182362 0.80 PTGS2 (0.79) PTGS2PTGS1ALDH1A1HPGDP4HTM
SCHEMBL28905979 0.79 KDM4E (0.55) GRM5PTGS2PTGS1ALDH1A1HPGD
SCHEMBL1094603 0.79 GRM5 (0.59) GRM5PTGS2PTGS1ALDH1A1HPGD
SCHEMBL30218069 0.79 GRM5 (0.59) GRM5PTGS2PTGS1ALDH1A1HPGD

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-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
EP-2585451-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 WO disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 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 (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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS GRM5 1306/4885PTGS2 2119/4885PTGS1 2788/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS GRM5 1306/4885PTGS2 2119/4885PTGS1 2788/4885

“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.