SCHEMBL9949885

SCHEMBL9949885

Cc1c(C(=O)c2cnn(C)c2O)ccc(C(F)(F)F)c1[S+](C)[O-]

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AR P10275 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
SCHEMBL10082847 0.91
SCHEMBL15255467 0.89
SCHEMBL10053357 0.86 SMN1; SMN2 (0.33)
SCHEMBL9949949 0.86 HTR2A (0.31) AR
SCHEMBL12724676 0.82 AR (0.34) AR
SCHEMBL12724677 0.81 P2RX7 (0.40) AR
SCHEMBL10053358 0.81 NR3C1 (0.31)
SCHEMBL596967 0.81
SCHEMBL10053361 0.78 AR (0.32) AR
SCHEMBL417104 0.75 TAS2R14 (0.40)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658841-B1 PROCESS FOR PREPARING 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER IP GMBH (DE) 2017-09-20 EP disclosed
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
EP-2658841-A1 PROCESS FOR PREPARING 3-ALKYLSULFINYLBENZOYL DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-11-06 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-8455657-B2 Process for the preparation of 3-alkylsulfinylbenzoyl derivatives BAYER CROPSCIENCE AG (DE) 2013-06-04 US disclosed
US-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-06-28 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-2012010573-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES 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-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
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-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

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-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES CBR3, CBR1, CYP1B1 AR 4069/4885
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, DDT, CYP4X1 AR 1799/4885
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 AR 3326/4885
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES CBR3, CYP4X1, PRDX4 AR 4164/4885

“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.