SCHEMBL353953

SCHEMBL353953

CNCc1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.48
PI4KB Q9UBF8 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CCR2 P41597 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2175797 0.86 SMN1; SMN2 (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL1030124 0.86 PI4KB (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL356279 0.84 SMN1; SMN2 (0.64) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL13033265 0.84 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL16123390 0.84 SIRT1 (0.52) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL6679893 0.84 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL9071272 0.84 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL3511064 0.84 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL299175 0.83 SMN1; SMN2 (0.51) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL12742401 0.83 PTPRB (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA SIRT1 78/4885PI4KB 3143/4885SMN1; SMN2 2356/4885

“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.