SCHEMBL602525

SCHEMBL602525

C=CC[S+]([O-])c1cccc(C(=O)c2cn[nH]c2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PDE4B Q07343 1/20 0.31
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAP4K4 O95819 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL12506348 0.79 CCNA2 (0.30) CCNA2CDK2
SCHEMBL9958346 0.76 TP53 (0.42)
SCHEMBL623070 0.76
SCHEMBL9958859 0.75 ALDH1A1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL9958863 0.75 TP53 (0.41)
SCHEMBL1784996 0.69 PBRM1 (0.59) ALDH1A1HTTATMTDP1L3MBTL1
SCHEMBL12506346 0.69 ELANE (0.46) ALDH1A1HTTPDE4BL3MBTL1
SCHEMBL434576 0.68 ALDH1A1 (0.56) ALDH1A1HTTATMTDP1L3MBTL1
SCHEMBL27535758 0.67 ALDH1A1 (0.53) ALDH1A1HTTPDE4BMAP4K4
Hydrochloric Acid SCHEMBL27846469 0.66 ALDH1A1 (0.51) ALDH1A1HTTPDE4BMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296473-B1 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-07-11 EP claimed
US-8114816-B2 Herbicidally active 4-(3-alkylsulfinylbenzoyl)pyrazoles BAYER CROPSCIENCE AG (DE) 2012-02-14 US claimed
EP-2296473-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES Bayer CropScience AG (DE) 2011-03-23 EP claimed
US-20100004129-A1 HERBICIDALLY ACTIVE 4-(3-ALKYLSULFINYLBENZOYL)PYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-01-07 US claimed
WO-2009149806-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO claimed
EP-2127521-A1 4-(3-Alkylsulfinylbenzoyl)pyrazoles as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-12-02 EP claimed
CN-102065690-B Herbicidally effective 4-(3-alkyl sulfinyl benzoyl) pyrazoles BAYER CROPSCIENCE AG 2013-11-06 CN disclosed
CN-102065690-B Herbicidally effective 4-(3-alkyl sulfinyl benzoyl) pyrazoles BAYER CROPSCIENCE AG 2013-11-06 CN disclosed
EP-2296473-B1 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-07-11 EP disclosed
EP-2296473-B1 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-07-11 EP disclosed
EP-2296473-B1 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-07-11 EP disclosed
US-8114816-B2 Herbicidally active 4-(3-alkylsulfinylbenzoyl)pyrazoles BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
US-8114816-B2 Herbicidally active 4-(3-alkylsulfinylbenzoyl)pyrazoles BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
US-20100004129-A1 HERBICIDALLY ACTIVE 4-(3-ALKYLSULFINYLBENZOYL)PYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-01-07 US disclosed
WO-2009149806-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
WO-2009149806-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
WO-2009149806-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
EP-2127521-A1 4-(3-Alkylsulfinylbenzoyl)pyrazoles as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-12-02 EP disclosed
EP-2127521-A1 4-(3-Alkylsulfinylbenzoyl)pyrazoles as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-12-02 EP disclosed
EP-2127521-A1 4-(3-Alkylsulfinylbenzoyl)pyrazoles as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-12-02 EP 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 (1 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-20100004129-A1 HERBICIDALLY ACTIVE 4-(3-ALKYLSULFINYLBENZOYL)PYRAZOLES CYP4X1, PRDX4, CBR3 ALDH1A1 440/4885HTT 1381/4885PDE4B 1548/4885

“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.