SCHEMBL31358798

SCHEMBL31358798

Cc1c(-c2ccc(C=C3Sc4ccccc4C3=O)o2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.63
GSK3A P49840 3/20 0.63
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
CDK2 P24941 1/20 0.50
PTPN5 P54829 2/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALOX12 P18054 2/20 0.48
THRB P10828 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN7 P35236 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
KMT2A Q03164 5/20 0.44
PKM P14618 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44

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
SCHEMBL31358858 0.88 GSK3B (0.64) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358736 0.87 INSR (0.67) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358720 0.87 GSK3B (0.51) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358789 0.85 INSR (0.52) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358778 0.84 KMT2A (0.52) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358763 0.83 PTPN5 (0.52) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358758 0.82 PIK3CG (0.49) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358807 0.82 INSR (0.53) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358847 0.82 GSK3A (0.58) GSK3BGSK3AINSRIGF1RCDK2
SCHEMBL31358733 0.82 MAPT (0.54) GSK3BGSK3AINSRIGF1RCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-01-23 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-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF PTPN18, PTPN7, PTPN1 GSK3B 787/4885GSK3A 843/4885INSR 2290/4885

“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.