SCHEMBL987764

SCHEMBL987764

CC1(C)COc2ccc(CCS(=O)(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
NOTUM Q6P988 2/20 0.40
RXRA P19793 1/20 0.38
MMP1 P03956 2/20 0.36
MMP7 P09237 2/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
BACE1 P56817 2/20 0.35
CYP26B1 Q9NR63 3/20 0.34
CYP26A1 O43174 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL7115343 0.84 MMP1 (0.34) PTGS1PTGS2MMP1MMP7MMP8
SCHEMBL5780794 0.81 PTGS2 (0.44) PTGS1PTGS2RARBRARGRARA
SCHEMBL5782515 0.78 PTGS1 (0.45) PTGS1PTGS2RARBRARGRARA
SCHEMBL3550976 0.77 RARB (0.47) PTGS1PTGS2RARBRARGRARA
SCHEMBL5780245 0.77 RARB (0.42) PTGS1PTGS2RARBRARGRARA
SCHEMBL1390751 0.76 RARB (0.40) PTGS1PTGS2RARBRARGRARA
SCHEMBL10158656 0.76 NOTUM (0.47) PTGS1PTGS2RARBRARGRARA
SCHEMBL5778114 0.75 RARB (0.49) PTGS1PTGS2RARBRARGRARA
SCHEMBL17316518 0.75 CYP26A1 (0.52) PTGS1PTGS2RARBRARGRARA
SCHEMBL5782492 0.75 RARB (0.45) PTGS1PTGS2RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016160-A1 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2010-01-21 US claimed
JP-4118948-B2 2008-07-16 JP claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US claimed
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides BAYER CROPSCIENCE AG (DE) 2005-04-28 US claimed
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 US claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
EP-1372395-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-01-02 EP claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP claimed
WO-2003017766-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-06 WO claimed
WO-2002071845-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2002-09-19 WO claimed
JP-2000503297-A 2000-03-21 JP claimed
EP-0708597-B1 HERBICIDAL COMPOSITIONS RHONE POULENC AGROCHIMIE (FR) 1998-09-16 EP claimed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP claimed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 EP claimed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 PTGS1 3734/4885PTGS2 3552/4885RARB 1719/4885
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides AADAC, NOTUM, NAAA PTGS1 3472/4885PTGS2 3640/4885RARB 1029/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 PTGS1 3666/4885PTGS2 3466/4885RARB 1870/4885
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one DDT, TARS2, CBR3 PTGS1 1769/4885PTGS2 1423/4885RARB 3892/4885
US-20100016160-A1 HERBICIDAL COMPOSITIONS DDT, AOX1, AS3MT PTGS1 3563/4885PTGS2 3552/4885RARB 1774/4885

“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.