SCHEMBL264117

SCHEMBL264117

Cc1nc(-c2ccccc2C(F)(F)F)sc1CCO[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
FFAR1 O14842 1/20 0.36
PPARG P37231 3/20 0.35
PTPN1 P18031 4/20 0.35
HSD11B1 P28845 1/20 0.35
EIF4E P06730 1/20 0.33
THRB P10828 1/20 0.33
F2RL3 Q96RI0 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
SCHEMBL260832 0.91 MPL (0.41) TP53PPARDPPARAMAPTLMNA
SCHEMBL259807 0.87 FFAR1 (0.47) TP53PPARDPPARAMAPTLMNA
SCHEMBL260562 0.86 TP53 (0.41) TP53PPARDPPARAMAPTLMNA
SCHEMBL263990 0.86 FFAR1 (0.37) TP53PPARDPPARAMAPTLMNA
SCHEMBL260208 0.85 HTR2B (0.43) TP53PPARDMAPTLMNAFFAR1
SCHEMBL259553 0.85 MAPT (0.39) TP53PPARDMAPTLMNAFFAR1
SCHEMBL259870 0.83 HTR2C (0.48) LMNAFFAR1
SCHEMBL264042 0.82 FFAR1 (0.40) TP53MAPTLMNAFFAR1PTPN1
SCHEMBL259269 0.81 TP53 (0.39) TP53MAPTLMNAFFAR1PTPN1
SCHEMBL263690 0.81 MAPT (0.36) TP53PPARDPPARAMAPTLMNA

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 12 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-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-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 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 (3 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-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 TP53 4134/4885PPARD 405/4885PPARA 472/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR TP53 4221/4885PPARD 347/4885PPARA 226/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 TP53 4585/4885PPARD 1943/4885PPARA 1966/4885

“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.