SCHEMBL10053360

SCHEMBL10053360

CCn1ncc(C(=O)c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2C)c1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1637412 0.91 LMNA (0.34) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL1236175 0.86 RAF1 (0.31) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL10053361 0.85 AR (0.32) ALDH1A1POLB
SCHEMBL12724669 0.84 LMNA (0.36) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL12724679 0.84 LMNA (0.36) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL1634766 0.80 RAB9A (0.36) LMNASMN1; SMN2RAB9AALDH1A1NR3C1
SCHEMBL10053357 0.80 SMN1; SMN2 (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL10872717 0.79 LMNA (0.38) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8183276 0.79 LMNA (0.36) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7939693 0.78 PTGS2 (0.34) SMN1; SMN2RAB9AMEN1KMT2A

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
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
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-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010575-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
WO-2012010574-A1 (4-TRIFLUORMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 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-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 (3 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 LMNA 4493/4885SMN1; SMN2 4651/4885RAB9A 3841/4885
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 LMNA 4571/4885SMN1; SMN2 4882/4885RAB9A 3624/4885
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides TH, DDT, CYP4X1 LMNA 4746/4885SMN1; SMN2 4667/4885RAB9A 2045/4885

“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.