SCHEMBL260283

SCHEMBL260283

Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.51
PPARA Q07869 9/20 0.51
PPARG P37231 8/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 3/20 0.42
KIF11 P52732 2/20 0.39
PTPN1 P18031 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL260007 0.84 PPARD (0.53) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL263578 0.83 MAPT (0.46) MAPTLMNATP53PTPN1
SCHEMBL260562 0.82 TP53 (0.41) PPARDPPARAPPARGMAPTLMNA
SCHEMBL4816726 0.82 ALDH1A1 (0.52) PPARDPPARAPPARGMAPTMEN1
SCHEMBL260977 0.81 MAPT (0.44) MAPTLMNATP53
SCHEMBL264030 0.81 PPARD (0.41) PPARDPPARAPPARGMAPTLMNA
SCHEMBL10207172 0.81 PPARD (0.52) PPARDPPARAPPARGMAPTMEN1
SCHEMBL264117 0.81 TP53 (0.42) PPARDPPARAPPARGMAPTLMNA
SCHEMBL260695 0.80 MAPT (0.40) MAPTLMNATP53PTPN1FFAR1
SCHEMBL263525 0.80 PPARD (0.49) PPARDPPARAPPARGMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US claimed
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-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-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-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
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US disclosed
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 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 (7 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
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 PPARD 319/4885PPARA 440/4885PPARG 669/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 PPARD 405/4885PPARA 472/4885PPARG 551/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR PPARD 347/4885PPARA 226/4885PPARG 366/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 PPARD 515/4885PPARA 661/4885PPARG 914/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 PPARD 1943/4885PPARA 1966/4885PPARG 2553/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 PPARD 452/4885PPARA 338/4885PPARG 466/4885

“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.