SCHEMBL245099

SCHEMBL245099

CC(=O)NS(=O)(=O)c1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
PKM P14618 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GRM5 P41594 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
BCAT1 P54687 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL29703778 0.79 CA12 (0.43) SMN1; SMN2PTGS1PTGS2HTT
SCHEMBL27334043 0.78 DHFR (0.39) DHFRTSHRSMN1; SMN2TDP1PTGS1
SCHEMBL9865417 0.75 SMN1; SMN2 (0.37) DHFRTSHRSMN1; SMN2TDP1PTGS1
SCHEMBL29703690 0.75 GAA (0.44) SMN1; SMN2PKMALDH1A1HPGD
SCHEMBL2996719 0.75 MAPT (0.45) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL16549739 0.72 PKM (0.55) DHFRTSHRSMN1; SMN2TDP1PTGS1
SCHEMBL30253017 0.72 LOX (0.41) SMN1; SMN2PTGS2ALDH1A1GRM5HPGD
SCHEMBL27698215 0.72 CASR (0.37) TSHRSMN1; SMN2TDP1PTGS1PTGS2
SCHEMBL1404067 0.72 LOX (0.41) SMN1; SMN2PTGS2ALDH1A1GRM5HPGD
Hydrochloric Acid SCHEMBL28231028 0.71 CASR (0.36) TSHRSMN1; SMN2TDP1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHFR 297/4885TSHR 2376/4885SMN1; SMN2 2852/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS DHFR 297/4885TSHR 2376/4885SMN1; SMN2 2852/4885

“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.