SCHEMBL3909579

SCHEMBL3909579

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
PTPN2 P17706 2/20 0.44
PTPN6 P29350 1/20 0.44
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
RHOA P61586 1/20 0.38
PTPRC P08575 1/20 0.37

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
SCHEMBL3907649 0.92 PTPN1 (0.54) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3915799 0.86 PTPN1 (0.48) PTPN1PTPN2RHOA
SCHEMBL3905134 0.85 PTPN1 (0.56) PTPN1PTPN2PTPN6PTPRC
SCHEMBL3906250 0.79 PTPN1 (0.48) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3909910 0.77 PTPN1 (0.54) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL3910686 0.77 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL3909412 0.77 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL3907886 0.77 PTPN1 (0.67) PTPN1PTPN2MAPTTP53PTPRC
SCHEMBL3908490 0.77 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL3910350 0.77 PTPN1 (0.61) PTPN1PTPN2PTPN6PTPRC

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-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 (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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885PTPN2 17/4885PTPN6 15/4885

“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.