SCHEMBL147992

SCHEMBL147992

Cc1c(C(=O)O)cccc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
BCAT2 O15382 1/20 0.49
TSHR P16473 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
FABP4 P15090 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL14100694 0.85 ALOX15 (0.50) ALOX15TSHRCA1CA2MMP1
SCHEMBL8531970 0.83 CA1 (0.50) ALOX15TSHRCA1CA2MMP1
SCHEMBL27484504 0.83 BCAT2 (0.44) ALOX15BCAT2CA1CA2MMP1
SCHEMBL1586444 0.83 ALOX15 (0.49) ALOX15TSHRCA1CA2MMP1
SCHEMBL29843488 0.83 CA1 (0.50) ALOX15TSHRCA1CA2MMP1
SCHEMBL8138242 0.82 ALDH1A1 (0.42) ALOX15BCAT2TSHRCA1CA2
SCHEMBL30595097 0.82 ALDH1A1 (0.42) ALOX15BCAT2TSHRCA1CA2
SCHEMBL29838630 0.82 BCAT2 (0.62) ALOX15BCAT2TSHRCA1CA2
SCHEMBL34748 0.82 BCAT2 (0.62) ALOX15BCAT2TSHRCA1CA2
SCHEMBL27449451 0.82 TSHR (0.52) ALOX15TSHRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103282354-B N-(tetrazolium-5-yl)-and N-(triazole-5-yl) aryl carboxamides and as the purposes of herbicide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-04 CN disclosed
EP-2611785-B1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2014-06-04 EP disclosed
CN-103282354-A N-(tetrazol-5-l)- and n-(triazol-5-yl)arylcarboxamides and use thereof as herbicides BAYER IP GMBH 2013-09-04 CN disclosed
EP-2611785-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-8481749-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamides and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-07-09 US disclosed
WO-2012028579-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (US) 2012-03-08 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 (1 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-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES ZYX, NAT1, CYCS ALOX15 1159/4885BCAT2 860/4885TSHR 352/4885

“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.