SCHEMBL5021024

SCHEMBL5021024

COc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.71
PTPN2 P17706 9/20 0.62
PTPRC P08575 1/20 0.58

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
SCHEMBL3735168 0.85 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL2691376 0.83 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL3746043 0.82 PTPN1 (0.72) PTPN1PTPN2PTPRC
SCHEMBL5020990 0.82 PTPN1 (0.51) PTPN1PTPN2PTPRC
SCHEMBL2691065 0.80 PTPN1 (0.69) PTPN1PTPN2PTPRC
SCHEMBL5021040 0.79 CYP2A6 (0.44) PTPN1PTPN2
SCHEMBL4414756 0.78 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL3177750 0.78 PTPN1 (0.73) PTPN1PTPN2PTPRC
SCHEMBL2690547 0.78 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL15095636 0.78 PTPN1 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2013-10-24 US disclosed
US-8481742-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2013-07-09 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-8168815-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2012-05-01 US disclosed
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2010-01-28 US 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 (4 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-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS PTPRF, PTPRJ, PTPRCAP PTPN1 15/4885PTPN2 23/4885PTPRC 7/4885
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885

“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.