SCHEMBL647192

SCHEMBL647192

Cc1cccc(Cc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.43
PDCD1 Q15116 11/20 0.43
CD274 Q9NZQ7 11/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL646771 0.94 SGMS2 (0.44) SGMS2PDCD1CD274MAPTMEN1
SCHEMBL3916553 0.77 MEN1 (0.53) SGMS2MAPTMEN1KMT2AALDH1A1
SCHEMBL7220858 0.77 SGMS2 (0.48) SGMS2MAPTMEN1KMT2AALDH1A1
SCHEMBL2411327 0.77 SGMS2 (0.56) SGMS2MAPTMEN1KMT2ANPC1
SCHEMBL23628998 0.76 MAOB (0.51) SGMS2PDCD1CD274MAPTMEN1
SCHEMBL3920927 0.75 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1MYC
SCHEMBL645984 0.74 NPC1 (0.44) MAPTNPC1RAB9AHTR1A
SCHEMBL10409122 0.74 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1MYC
SCHEMBL3991491 0.74 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1MYC
SCHEMBL9274816 0.73 PIN1 (0.48) MAPTMEN1KMT2AALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 WO 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR SGMS2 1917/4885PDCD1 789/4885CD274 1326/4885

“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.