SCHEMBL280279

SCHEMBL280279

Cc1nc(NC(=O)CCCCC2CCSS2)sc1CCON(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.42
PTPRF P10586 9/20 0.42
PTPN2 P17706 9/20 0.42
PTPN1 P18031 9/20 0.42
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
TARDBP Q13148 2/20 0.40
ACHE P22303 2/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL259128 0.85 PTPRF (0.41) BCHEPTPRFPTPN2PTPN1HSD17B10
SCHEMBL259775 0.83 PTPRF (0.38) BCHEPTPRFPTPN2PTPN1HSD17B10
SCHEMBL280074 0.80 HSD17B10 (0.35) BCHEHSD17B10KMT2ATARDBPACHE
SCHEMBL279956 0.80 ATAD2 (0.45) KMT2AMEN1ALDH1A1LMNAATAD2
SCHEMBL14210095 0.75 RAB9A (0.42) HSD17B10KMT2AMEN1ALDH1A1POLB
SCHEMBL280450 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL280473 0.69 RAB9A (0.39) ALDH1A1LMNA
SCHEMBL7841469 0.69 ALDH1A1 (0.50) BCHEPTPRFPTPN2PTPN1HSD17B10
SCHEMBL279767 0.68 ITGB3 (0.32) ALDH1A1
SCHEMBL280302 0.68 ITGB3 (0.32) ALDH1A1

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 BCHE 1740/4885PTPRF 2101/4885PTPN2 852/4885

“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.