SCHEMBL5771437

SCHEMBL5771437

COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CNC(=O)c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP51A1 Q16850 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
GSK3B P49841 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NAMPT P43490 3/20 0.34
PLCG2 P16885 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5769422 0.90 PTPN1 (0.37) KDM4EMAPTALDH1A1CYP51A1NPC1
SCHEMBL5838460 0.88 KDM4E (0.42) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL5771466 0.81 KDM4E (0.41) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL5773593 0.80 MAPT (0.40) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL5837940 0.76 PTPN1 (0.54) KDM4EMAPTALDH1A1CYP51A1NPC1
SCHEMBL5766921 0.76 KDM4E (0.44) KDM4EMAPTALDH1A1KMT2ADRD2
SCHEMBL7520515 0.76 KDM4E (0.46) KDM4EMAPTALDH1A1KMT2ADRD2
SCHEMBL7553313 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1CYP51A1NPC1
SCHEMBL5768831 0.74 CHRM1 (0.41)
SCHEMBL5837902 0.73 MAPT (0.34) KDM4EMAPTALDH1A1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 EP disclosed
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 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 (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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS KDM4E 890/4885MAPT 4142/4885ALDH1A1 1724/4885

“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.