SCHEMBL3512835

SCHEMBL3512835

CCCS(=O)(=O)Cc1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CCR2 P41597 2/20 0.42
PI4KB Q9UBF8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTPRB P23467 2/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.39
SREBF2 Q12772 1/20 0.38

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
SCHEMBL12742401 0.82 PTPRB (0.49) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL3513099 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL2175797 0.82 SMN1; SMN2 (0.50) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL3513842 0.81 NPC1 (0.54) ALDH1A1MAPK1SMN1; SMN2GAAHSD17B10
SCHEMBL1030124 0.79 PI4KB (0.50) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL16123390 0.78 SIRT1 (0.52) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL6679893 0.78 SIRT1 (0.49) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL13033265 0.78 SIRT1 (0.49) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL356279 0.78 SMN1; SMN2 (0.64) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL9071272 0.78 SIRT1 (0.49) SIRT1ALDH1A1TSHRMAPK1SMN1; SMN2

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 3 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
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 SIRT1 652/4885ALDH1A1 2644/4885TSHR 3215/4885

“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.