SCHEMBL3286776

SCHEMBL3286776

Brc1ccc2c(c1)C1(CCC1)c1cc(Br)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
TDP2 O95551 1/20 0.39
KDM1A O60341 1/20 0.38
KCNK2 O95069 2/20 0.37
S100A4 P26447 1/20 0.37
METAP1 P53582 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
BACE1 P56817 5/20 0.36
APP P05067 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
PTPRC P08575 1/20 0.32
CTSD P07339 2/20 0.32
PARP10 Q53GL7 2/20 0.32

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
SCHEMBL14580696 0.96 PDK2 (0.41) PDK2TDP2KDM1AKCNK2S100A4
SCHEMBL13337301 0.94 KCNK2 (0.42) PDK2TDP2KDM1AKCNK2S100A4
SCHEMBL12306672 0.94 KCNK2 (0.42) PDK2TDP2KDM1AKCNK2S100A4
SCHEMBL204595 0.91 PDK2 (0.43) PDK2TDP2KDM1AKCNK2S100A4
SCHEMBL24730449 0.87 KCNK2 (0.39) PDK2TDP2KDM1AKCNK2S100A4
SCHEMBL14580694 0.87 TDP2 (0.38) PDK2TDP2KDM1AKCNK2
SCHEMBL29789012 0.87 PDK2 (0.50) PDK2TDP2KDM1AKCNK2BACE1
SCHEMBL4911824 0.87 PDK2 (0.50) PDK2TDP2KDM1AKCNK2BACE1
SCHEMBL808152 0.85 PDK2 (0.49) PDK2TDP2KCNK2BACE1PTPRC
SCHEMBL14340277 0.85 KCNK2 (0.40) PDK2TDP2KDM1AKCNK2AKR1A1

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
EP-2242750-B1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 EP disclosed
EP-2242750-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 EP disclosed
US-7704992-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
WO-2009102568-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (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-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PDK2 2564/4885TDP2 3608/4885KDM1A 4221/4885

“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.