SCHEMBL4131016

SCHEMBL4131016

COc1ccccc1-c1ccc2c(OCC(=O)O)c(C(=O)O)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
PTPN1 P18031 10/20 0.47
PTPN2 P17706 2/20 0.47
CTSA P10619 1/20 0.46
LIMK1 P53667 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPRC P08575 1/20 0.45
FFAR1 O14842 1/20 0.43
ABL1 P00519 2/20 0.42
MIF P14174 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4127708 0.84 PTPN1 (0.49) MCL1PTPN1PTPN2CTSAPTPRC
SCHEMBL4125811 0.84 PTPN1 (0.55) MCL1PTPN1PTPN2PTPRC
SCHEMBL4120361 0.83 MCL1 (0.53) MCL1PTPN1PTPN2PTPRC
SCHEMBL4120104 0.83 PTPN1 (0.60) PTPN1PTPN2LIMK1SMN1; SMN2PTPRC
SCHEMBL4132117 0.80 GAA (0.48) MCL1PTPN1CTSALIMK1POLB
SCHEMBL4125670 0.78 PTPN1 (0.58) MCL1PTPN1PTPN2PTPRC
SCHEMBL4126991 0.77 PTPN1 (0.63) MCL1PTPN1PTPN2LIMK1PTPRC
SCHEMBL4126654 0.77 PTPN1 (0.59) MCL1PTPN1PTPN2PTPRC
SCHEMBL4118805 0.76 PTPN1 (0.61) MCL1PTPN1PTPN2PTPRC
SCHEMBL4126524 0.76 PTPN1 (0.47) PTPN1PTPN2SMN1; SMN2PTPRC

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 MCL1 1825/4885PTPN1 11/4885PTPN2 23/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MCL1 1825/4885PTPN1 11/4885PTPN2 23/4885

“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.