SCHEMBL279236

SCHEMBL279236

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCON(O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.55
PPARA Q07869 10/20 0.55
PPARG P37231 7/20 0.55
MAPT P10636 2/20 0.53
FFAR1 O14842 4/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL279959 0.89 MAPT (0.53) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL280304 0.86 ALDH1A1 (0.54) PPARDPPARAPPARGMAPTNPC1
SCHEMBL280312 0.86 MAPT (0.47) PPARDMAPTFFAR1GAA
SCHEMBL279881 0.85 CDC7 (0.47) PPARDPPARAPPARGMAPT
SCHEMBL280018 0.84 PPARD (0.41) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL279195 0.84 MAPT (0.41) PPARDPPARAPPARGMAPTNPC1
SCHEMBL10207171 0.84 MAPT (0.49) MAPTNPC1ALDH1A1GAA
SCHEMBL278857 0.83 LMNA (0.48) PPARDMAPTFFAR1ALDH1A1GAA
SCHEMBL10207172 0.83 PPARD (0.52) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL279899 0.82 PTGDR2 (0.44) PPARDPPARAPPARGMAPTNPC1

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 PPARD 347/4885PPARA 226/4885PPARG 366/4885

“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.