SCHEMBL10071769

SCHEMBL10071769

O=C(CBr)c1ccc2c(c1)-c1ccc(C(=O)CBr)cc1-2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.57
GSK3B P49841 12/20 0.56
PTPRC P08575 2/20 0.42
S100A4 P26447 1/20 0.41
GNG2 P59768 1/20 0.40
GNB1 P62873 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
SCHEMBL14705510 0.90 PTPN1 (0.49) PTPN1GSK3BPTPRCS100A4GNG2
SCHEMBL205280 0.80 GSK3B (0.80) PTPN1GSK3B
SCHEMBL15105999 0.79 SRD5A1 (0.54) PTPN1GSK3BGNG2GNB1
SCHEMBL15106223 0.79 NPC1 (0.58) PTPN1GSK3BGNG2GNB1
SCHEMBL11482012 0.79 PTPN1 (0.84) PTPN1GSK3B
SCHEMBL204586 0.78 PTPN1 (0.49) PTPN1GSK3B
SCHEMBL14721244 0.78 PTPN1 (0.49) PTPN1GSK3BGNG2GNB1
SCHEMBL16891304 0.78 PTPN1 (0.50) PTPN1GSK3BGNG2GNB1
SCHEMBL14692626 0.78 GSK3B (0.50) PTPN1GSK3BGNG2GNB1
SCHEMBL10170998 0.77 GSK3B (0.56) GSK3BPTPRCS100A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377223-A1 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2014-12-25 US disclosed
US-20140377223-A1 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2014-12-25 US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 US disclosed
US-20140171476-A1 Chemical Compounds GLAXOSMITH KLINE LLC (US) 2014-06-19 US disclosed
US-20140171476-A1 Chemical Compounds GLAXOSMITH KLINE LLC (US) 2014-06-19 US disclosed
WO-2012018534-A2 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-02-09 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-20140171476-A1 Chemical Compounds SLC10A1, UGT2B7, CYP3A43 PTPN1 1776/4885GSK3B 1312/4885PTPRC 994/4885
US-20140377223-A1 SUBSTITUTED BIPHENYLENE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, CYP1B1, AHR PTPN1 369/4885GSK3B 2132/4885PTPRC 850/4885

“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.