SCHEMBL417766

SCHEMBL417766

Cc1c(C(=O)O)ccc(C(F)(F)C(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.38
NOTUM Q6P988 4/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
HAAO P46952 1/20 0.37
MYC P01106 2/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
DAO P14920 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
CYP2C19 P33261 1/20 0.34
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
ELANE P08246 1/20 0.33
MMP9 P14780 1/20 0.33
DUSP3 P51452 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
SCHEMBL1634606 0.87 TAS2R14 (0.45) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL30634615 0.87 TAS2R14 (0.45) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL416168 0.83 CFTR (0.41) NOTUMMYCKDM4EALDH1A1HPGD
SCHEMBL419198 0.78 TAS2R14 (0.35) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL1235350 0.76 TAS2R14 (0.49) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL10053348 0.76 TAS2R14 (0.51) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL13199120 0.75 AR (0.44) TAS2R14NOTUMRXRARXRBHAAO
SCHEMBL29465861 0.75 CES2 (0.50) NOTUMHAAOMYCCYP1A2KDM4E
SCHEMBL7822093 0.75 HPGD (0.44) NOTUMRXRARXRBHAAOMYC
SCHEMBL107175 0.75 CES2 (0.50) NOTUMHAAOMYCCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595955-B1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-11-30 EP disclosed
EP-2595963-B1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2014-11-12 EP disclosed
US-8603947-B2 (4-haloalkyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-8536097-B2 4-(4-haloalkyl-3-thiobenzoyl)pyrazoles and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
EP-2595955-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
EP-2595963-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010573-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
WO-2012010575-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 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-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 TAS2R14 1504/4885NOTUM 918/4885RXRA 424/4885
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES CBR3, CYP4X1, PRDX4 TAS2R14 954/4885NOTUM 1496/4885RXRA 314/4885

“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.