SCHEMBL10053361

SCHEMBL10053361

Cc1c(C(=O)c2cnn(C)c2O)ccc(C(F)(F)F)c1S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL10082595 0.91
SCHEMBL15255468 0.89
SCHEMBL10053360 0.85 LMNA (0.34) POLBALDH1A1
SCHEMBL12724676 0.83 AR (0.34) ARP2RX7
SCHEMBL12724677 0.82 P2RX7 (0.40) ARP2RX7
SCHEMBL1634510 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9949885 0.78 AR (0.31) AR
SCHEMBL12602531 0.78 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL8177016 0.77 PRKDC (0.36)
SCHEMBL1637412 0.76 LMNA (0.34) ALDH1A1

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 18 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-2595954-B1 (4-TRIFLUORMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-05-04 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-8563779-B2 (4-trifluoromethyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
US-8563779-B2 (4-trifluoromethyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-22 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
US-8536097-B2 4-(4-haloalkyl-3-thiobenzoyl)pyrazoles and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010574-A1 (4-TRIFLUORMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES 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
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES 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
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-7932211-B2 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2009-03-12 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 (4 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-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, DDT, CYP4X1 AR 1799/4885POLB 3073/4885ALDH1A1 191/4885
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 AR 3326/4885POLB 2050/4885ALDH1A1 179/4885
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES CBR3, CYP4X1, PRDX4 AR 4164/4885POLB 2013/4885ALDH1A1 407/4885
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides TH, DDT, CYP4X1 AR 3412/4885POLB 3219/4885ALDH1A1 680/4885

“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.