SCHEMBL3388541

SCHEMBL3388541

CC[S@+]([O-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNN4 O15554 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MIF P14174 1/20 0.33
PSIP1 O75475 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
ELANE P08246 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL16363528 1.00 TP53 (0.38) TP53CYP3A4TDP1KCNN4CES2
SCHEMBL775291 1.00 TP53 (0.38) TP53CYP3A4TDP1KCNN4CES2
SCHEMBL19199344 0.81 SLC6A4 (0.41) TP53KCNN4LMNA
SCHEMBL29182302 0.80 TP53 (0.40) TP53CYP3A4TDP1KCNN4CES2
SCHEMBL776216 0.80 TP53 (0.40) TP53CYP3A4TDP1KCNN4CES2
SCHEMBL30828031 0.80 TP53 (0.40) TP53CYP3A4TDP1KCNN4CES2
SCHEMBL1314975 0.78 CYP3A4 (0.38) CYP3A4TDP1CES2CES1
SCHEMBL20921242 0.78 CYP3A4 (0.38) CYP3A4TDP1CES2CES1
SCHEMBL6913189 0.78 CYP3A4 (0.38) CYP3A4TDP1CES2CES1
SCHEMBL12283711 0.77 ACHE (0.40) CYP3A4TDP1ACHEELANE

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-8367871-B2 Process for production of optically active sulfoxide compound using iron-salan complex catalyst NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
US-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-15 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-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST SCLY, SFXN1, SQOR TP53 4860/4885CYP3A4 316/4885TDP1 4854/4885

“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.