SCHEMBL598127

SCHEMBL598127

Cc1c(C(=O)S)ccc(S(C)(=O)=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
BCAT2 O15382 1/20 0.34
SLC9A1 P19634 1/20 0.33
EPAS1 Q99814 1/20 0.31
VCAM1 P19320 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
SCHEMBL8138242 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1BCAT2
SCHEMBL30595097 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1BCAT2
SCHEMBL9761613 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1BCAT2SLC9A1
SCHEMBL4700846 0.78 CA1 (0.45) ALDH1A1VCAM1
SCHEMBL598128 0.77 L3MBTL1 (0.36) ALDH1A1L3MBTL1BCAT2SLC9A1EPAS1
SCHEMBL28452343 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL700582 0.72 NR3C2 (0.47) ALDH1A1L3MBTL1BCAT2
SCHEMBL29182503 0.71 CYP1A2 (0.35) ALDH1A1
SCHEMBL4034288 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1BCAT2
SCHEMBL4032987 0.70 LMNA (0.45) 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 6 patents. 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 disclosed
US-8114816-B2 Herbicidally active 4-(3-alkylsulfinylbenzoyl)pyrazoles BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2296473-A2 HERBICIDALLY EFFECTIVE 4- (3-ALKYL SULFINYL BENZOYL) PYRAZOLES Bayer CropScience AG (DE) 2011-03-23 EP 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
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 440/4885L3MBTL1 841/4885BCAT2 1164/4885

“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.