SCHEMBL280177

SCHEMBL280177

COc1ccc2cc(C(C)c3nc(C)c(CCON(O)O)s3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
COPS5 Q92905 1/20 0.41
ALOX5 P09917 1/20 0.40
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
PTGS1 P23219 3/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGS2 P35354 3/20 0.38
TSHR P16473 2/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL279413 1.00 ABCB11 (0.41) ABCB11COPS5ALOX5AKR1C3AKR1C2
SCHEMBL263951 0.85 ABCB11 (0.49) ABCB11COPS5AKR1C3AKR1C2PTGS1
SCHEMBL263948 0.81 COPS5 (0.40) ABCB11COPS5AKR1C3AKR1C2PTGS1
SCHEMBL263866 0.81 COPS5 (0.40) ABCB11COPS5AKR1C3AKR1C2PTGS1
SCHEMBL280443 0.81 KMT2A (0.37)
SCHEMBL280292 0.79 RIOK2 (0.49) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL279332 0.79 ALOX5 (0.34) ALOX5AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL279066 0.76 PTGS1 (0.40) ALOX5AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL280151 0.76 GAA (0.38) LMNA
SCHEMBL280316 0.73 HRH2 (0.39) ALOX5TSHRLMNAMAPT

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 ABCB11 1467/4885COPS5 3558/4885ALOX5 32/4885

“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.