SCHEMBL355007

SCHEMBL355007

Cc1nccnc1C(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.43
SIRT1 Q96EB6 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 5/20 0.38
METAP1 P53582 1/20 0.37
SREBF2 Q12772 1/20 0.36
CCR2 P41597 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL353386 0.84 NPC1 (0.47) MAPK1SMN1; SMN2GAA
SCHEMBL354511 0.80 PI4KB (0.42) PI4KBSIRT1TSHRMAPK1SMN1; SMN2
SCHEMBL352233 0.77 SIRT1 (0.46) PI4KBSIRT1TSHRMAPK1SMN1; SMN2
SCHEMBL355928 0.76 GABRA5 (0.42) SMN1; SMN2GAA
SCHEMBL353664 0.75 ROCK1 (0.41) MAPK1
SCHEMBL353296 0.75 ROCK1 (0.51)
SCHEMBL352380 0.74 ROCK1 (0.39)
SCHEMBL12742401 0.74 PTPRB (0.49) PI4KBSIRT1TSHRMAPK1SMN1; SMN2
SCHEMBL1030124 0.73 PI4KB (0.50) PI4KBSIRT1TSHRMAPK1SMN1; SMN2
SCHEMBL2175797 0.73 SMN1; SMN2 (0.50) PI4KBSIRT1TSHRMAPK1SMN1; 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 5 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
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
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

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 PI4KB 3143/4885SIRT1 78/4885TSHR 2748/4885

“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.