SCHEMBL3907649

SCHEMBL3907649

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
PTPN2 P17706 2/20 0.54
PTPN6 P29350 1/20 0.54
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPRC P08575 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL3909579 0.92 PTPN1 (0.44) PTPN1PTPN2PTPN6MAPTLMNA
SCHEMBL3909910 0.85 PTPN1 (0.54) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL3910350 0.84 PTPN1 (0.61) PTPN1PTPN2PTPN6PTPRC
SCHEMBL3910686 0.83 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL3916524 0.81 PTPN1 (0.48) PTPN1PTPN2MAPTALDH1A1
SCHEMBL3907886 0.80 PTPN1 (0.67) PTPN1PTPN2MAPTPTPRC
SCHEMBL3907356 0.78 PTPN1 (0.65) PTPN1PTPN2PTPRC
SCHEMBL3909580 0.78 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL3915799 0.77 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3913637 0.77 PTPN1 (0.60) PTPN1PTPN2PTPN6MAPTLMNA

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.