SCHEMBL4126845

SCHEMBL4126845

Cc1cc(NC(=O)c2ccc3c(OCC(=O)O)c(C(=O)O)sc3c2)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 5/20 0.41
PTPN2 P17706 3/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
LMNA P02545 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
SCHEMBL4125941 0.88 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2RIPK1
SCHEMBL4132062 0.78 PTPN1 (0.47) PTPN1PTPN2LMNAPTPRC
SCHEMBL4120133 0.77 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL4121439 0.76 PTPN1 (0.43) PTPN1NPC1RAB9ARIPK1PTPN2
SCHEMBL4121383 0.76 ALDH1A1 (0.45) PTPN1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4119836 0.74 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL4126207 0.74 PTPN1 (0.62) PTPN1NPC1RAB9ASMN1; SMN2PTPN2
SCHEMBL4120616 0.74 RAB9A (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4125935 0.73 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL4125928 0.73 PTPN1 (0.45) PTPN1PTPN2PTPRC

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
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885NPC1 4126/4885RAB9A 1873/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885NPC1 4126/4885RAB9A 1873/4885

“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.