SCHEMBL3582175

SCHEMBL3582175

CC(C)(C)n1c(=O)c2ccccc2[s+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.40
CA9 Q16790 7/20 0.40
CA1 P00915 3/20 0.40
ELANE P08246 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
G6PD P11413 1/20 0.31
CASP3 P42574 1/20 0.31
METAP2 P50579 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
PMM2 O15305 1/20 0.30
MPI P34949 1/20 0.30
PHOSPHO1 Q8TCT1 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3576624 0.73 CA12 (0.35) CA12CA9CA1KDM4ETSHR
SCHEMBL30522772 0.67 TDP1 (0.50) KDM4ETDP1L3MBTL1
SCHEMBL472592 0.59 ALDH1A1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13394749 0.58 ALDH1A1 (0.35) TSHRTDP1
SCHEMBL1760652 0.58 PARP1 (0.31) KDM4ESMN1; SMN2HSD17B10
SCHEMBL30286606 0.57 CYP2A6 (0.33) TSHRHSD17B10TDP1
SCHEMBL205562 0.57 CYP2A6 (0.33) TSHRHSD17B10TDP1
SCHEMBL122923 0.56 KDM4E (0.41) ELANEMETAP2KDM4ETSHRSMN1; SMN2
SCHEMBL10234059 0.56 BRD4 (0.43) KDM4ETP53TSHRSMN1; SMN2HSD17B10
SCHEMBL10343194 0.56 METAP2 (0.58) ELANEG6PDMETAP2KDM4ETP53

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-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E CA12 4693/4885CA9 3381/4885CA1 4732/4885

“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.