SCHEMBL3513842

SCHEMBL3513842

CCCS(=O)(=O)Cc1csc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
MIF P14174 1/20 0.46
PDE5A O76074 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL91572 0.83 RAB9A (0.66) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL3513099 0.83 ALDH1A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL3512835 0.81 SIRT1 (0.44) ALDH1A1SMN1; SMN2KMT2AHSD17B10GAA
SCHEMBL4793221 0.78 NPC1 (0.54) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL4780444 0.74 NPC1 (0.57) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL146652 0.73 NPC1 (0.64) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL10081944 0.72 MAPT (0.52) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL10081817 0.72 TP53 (0.54) NPC1RAB9AMAPTPKMALDH1A1
SCHEMBL3511440 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNA
SCHEMBL353386 0.72 NPC1 (0.47) NPC1RAB9AMAPTPKMALDH1A1

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 5 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-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
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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 NPC1 3778/4885RAB9A 2573/4885MAPT 1889/4885

“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.