SCHEMBL3909646

SCHEMBL3909646

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(N)cc2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.58
PTPRC P08575 3/20 0.45
PTPN2 P17706 3/20 0.45
GRM6 O15303 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13867883 0.90 PTPN1 (0.51) PTPN1PTPRCPTPN2
SCHEMBL13878005 0.89 PTPN1 (0.48) PTPN1PTPRCPTPN2
SCHEMBL13867884 0.89 PTPN1 (0.48) PTPN1PTPRCPTPN2
SCHEMBL3915222 0.89 PTPN1 (0.50) PTPN1PTPRCPTPN2GRM6NPC1
SCHEMBL13867890 0.88 PTPN1 (0.49) PTPN1PTPRCPTPN2
SCHEMBL3907448 0.88 PTPN1 (0.54) PTPN1PTPRCPTPN2
SCHEMBL3905661 0.88 PTPN1 (0.49) PTPN1PTPRCPTPN2ALDH1A1
SCHEMBL3912238 0.88 PTPN1 (0.61) PTPN1PTPRCPTPN2
SCHEMBL3907886 0.87 PTPN1 (0.67) PTPN1PTPRCPTPN2MAPT
SCHEMBL3916592 0.87 PTPN1 (0.47) PTPN1PTPRCPTPN2

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 5 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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
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 11/4885PTPRC 5/4885PTPN2 17/4885

“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.