SCHEMBL598128

SCHEMBL598128

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.34
BCAT2 O15382 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
EPAS1 Q99814 1/20 0.31
SLC9A1 P19634 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL30595097 0.82 ALDH1A1 (0.42) L3MBTL1ALDH1A1BCAT2CYP1A2HPGD
SCHEMBL8138242 0.82 ALDH1A1 (0.42) L3MBTL1ALDH1A1BCAT2CYP1A2HPGD
SCHEMBL598127 0.77 ALDH1A1 (0.38) L3MBTL1ALDH1A1BCAT2EPAS1SLC9A1
SCHEMBL9761613 0.77 ALDH1A1 (0.38) L3MBTL1ALDH1A1BCAT2CYP1A2CYP3A4
SCHEMBL4700846 0.74 CA1 (0.45) ALDH1A1MAPTHPGDATMLMNA
SCHEMBL28023599 0.73 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL700582 0.72 NR3C2 (0.47) L3MBTL1ALDH1A1BCAT2CYP1A2CYP3A4
SCHEMBL29182507 0.71 CYP1A2 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4032987 0.70 LMNA (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL28519039 0.70 L3MBTL1 (0.42) L3MBTL1ALDH1A1BCAT2CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 841/4885ALDH1A1 440/4885BCAT2 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.