SCHEMBL7526850

SCHEMBL7526850

COc1ccc(CN2Cc3sc(NC(=O)C(=O)O)c(C(=O)O)c3CC2CNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.46
PTPN2 P17706 5/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GLO1 Q04760 1/20 0.39
MAPT P10636 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL7516404 0.93 PTPN1 (0.49) PTPN1PTPN2KDM4E
SCHEMBL7519093 0.92 PTPN1 (0.46) PTPN1PTPN2NPC1RAB9ADRD2
SCHEMBL7699895 0.86 KMT2A (0.42) NPC1RAB9ADRD2DRD3KDM4E
SCHEMBL7516893 0.85 PTPN1 (0.50) PTPN1PTPN2KDM4E
SCHEMBL7521067 0.85 PTPN1 (0.47) PTPN1PTPN2GLO1MAPT
SCHEMBL7525127 0.84 PTPN1 (0.47) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL5837592 0.84 PTPN1 (0.50) PTPN1PTPN2NPC1RAB9ADRD2
SCHEMBL7522308 0.83 GLO1 (0.46) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL5838091 0.82 PTPN1 (0.53) PTPN1PTPN2GLO1
SCHEMBL5837745 0.81 PTPN1 (0.44) PTPN1PTPN2KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 US claimed
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS PTPN1 1/4885PTPN2 14/4885NPC1 3171/4885

“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.