SCHEMBL280292

SCHEMBL280292

COc1ccc2cc([C@H](C)C(=O)Nc3nc(C)c(CCON(O)O)s3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 4/20 0.49
GSK3A P49840 2/20 0.49
MAPK10 P53779 2/20 0.49
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
TSHR P16473 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 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
SCHEMBL263887 0.85 RIOK2 (0.48) RIOK2GSK3AMAPK10OPRM1OPRD1
SCHEMBL260350 0.85 RIOK2 (0.48) RIOK2GSK3AMAPK10OPRM1OPRD1
SCHEMBL279782 0.82 LMNA (0.50) CA12CA1CA2CA4CA9
SCHEMBL280177 0.79 ABCB11 (0.41) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL279413 0.79 ABCB11 (0.41) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL24343226 0.74 RIOK2 (0.61) RIOK2GSK3AMAPK10CA12CA1
SCHEMBL280450 0.73 ALDH1A1 (0.48)
SCHEMBL13125440 0.71 PTGS2 (0.58) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL279066 0.71 PTGS1 (0.40) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL14210095 0.71 RAB9A (0.42) MEN1KMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US 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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR RIOK2 3045/4885GSK3A 3462/4885MAPK10 1965/4885

“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.