SCHEMBL16829482

SCHEMBL16829482

COc1c(C[S+](C)[O-])cc(C(C)(C)C)cc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.38
GSK3A P49840 8/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 7/20 0.35
SYK P43405 7/20 0.35
ALDH1A1 P00352 1/20 0.34
BCL2A1 Q16548 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL15086934 0.85 MAPK14 (0.33) MAPK14MAPTTP53SMN1; SMN2HTT
SCHEMBL28756094 0.84 ALDH1A1 (0.40) MAPK14GSK3AMAPTSMN1; SMN2HTT
SCHEMBL16106451 0.83 MAPK14 (0.50) MAPK14GSK3AMAPTTP53SMN1; SMN2
SCHEMBL1847413 0.82 MAPK14 (0.39) MAPK14MAPTTP53SMN1; SMN2HTT
SCHEMBL15743699 0.80 HTR1D (0.33)
SCHEMBL16829471 0.80 GSK3A (0.49) MAPK14GSK3ASRCSYK
SCHEMBL16829458 0.79 MAPK14 (0.50) MAPK14GSK3AHTTMEN1KMT2A
SCHEMBL16829221 0.79 MAPK14 (0.50) MAPK14GSK3AMAPTTP53SMN1; SMN2
SCHEMBL16829249 0.79 MAPK14 (0.50) MAPK14GSK3AHTTMEN1KMT2A
SCHEMBL1848243 0.78 HPGD (0.43) MAPK14GSK3AMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890185-B2 Urea derivatives useful as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-13 US disclosed
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-03 US disclosed
EP-3083604-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-10-26 EP disclosed
WO-2015092423-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-06-25 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-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS SYK, UACA, YES1 MAPK14 197/4885GSK3A 853/4885MAPT 2541/4885

“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.