SCHEMBL3511229

SCHEMBL3511229

O=S(=O)(Cc1nccs1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
FDPS P14324 1/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC40A1 Q9NP59 1/20 0.35
ACP1 P24666 1/20 0.33
CYP2D6 P10635 2/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAMPT P43490 1/20 0.32
PKM P14618 1/20 0.32
CYP1B1 Q16678 1/20 0.31
NLRP3 Q96P20 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31

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
SCHEMBL8797268 0.78 FBP1 (0.38) SLC40A1ACP1TSHRALDH1A1NOS1
SCHEMBL20679918 0.77 NAMPT (0.46) CYP2C19CYP1A2CYP2C9SLC40A1CYP2D6
SCHEMBL2037446 0.76 CYP2C19 (0.45) CYP2C19FDPSCYP1A2CYP2C9SLC6A3
SCHEMBL2376213 0.76 CYP1A2 (0.47) CYP2C19FDPSCYP1A2CYP2C9SLC6A3
SCHEMBL2376209 0.76 FDPS (0.42) CYP2C19FDPSCYP1A2CYP2C9SLC6A3
SCHEMBL3510928 0.75 ALDH1A1 (0.39) CYP2C19ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28585523 0.74 ACP1 (0.45) CYP2C19FDPSCYP1A2CYP2C9SLC6A3
SCHEMBL12854153 0.74 CYP2C19 (0.41) CYP2C19FDPSCYP1A2CYP2C9SLC6A3
SCHEMBL15689278 0.74 ALDH1A1 (0.53) CYP2C19CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL8796833 0.74 NAMPT (0.32) SLC40A1NAMPTNLRP3

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-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD CYP2C19 1318/4885FDPS 245/4885CYP1A2 2368/4885

“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.