SCHEMBL3511224

SCHEMBL3511224

CCC[S+]([O-])Cc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.35
▸ FDPS P14324 1/20 0.34
▸ FBP1 P09467 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ PKM P14618 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ TRPM5 Q9NZQ8 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL12854076 0.85 FDPS (0.36) CYP2C19FDPSFBP1SLC6A3ALDH1A1
SCHEMBL17504102 0.71 CTSK (0.33) FDPSSLC6A3SMN1; SMN2CTSK
SCHEMBL9084443 0.71 FDPS (0.38) CYP2C19FDPSSLC6A3ALDH1A1PKM
SCHEMBL9084436 0.71 FDPS (0.38) CYP2C19FDPSSLC6A3ALDH1A1PKM
SCHEMBL257550 0.70 — —
SCHEMBL155115 0.69 — —
Ammonia Solution, Strong SCHEMBL4478049 0.68 — —
Hydrochloric Acid SCHEMBL28220446 0.68 — —
SCHEMBL559034 0.67 — —
SCHEMBL27377535 0.67 SMN1; SMN2 (0.42) CYP2C19FDPSFBP1SLC6A3KDM1A

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 245/4885FBP1 1803/4885

“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.

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