SCHEMBL2066237

SCHEMBL2066237

COC(=O)C1Cc2ccc(Br)cc2CC(C(=O)OC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
PRMT5 O14744 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL1339915 0.83 KMT2A (0.47) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL30437369 0.83 KMT2A (0.47) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL1338969 0.81 KDM4E (0.49)
SCHEMBL16098885 0.81 KDM4E (0.49)
SCHEMBL29476744 0.81 KDM4E (0.49)
SCHEMBL468628 0.80 KMT2A (0.40)
SCHEMBL29929760 0.75 POLB (0.41)
SCHEMBL1640413 0.75 POLB (0.41)
SCHEMBL7919875 0.75 MTNR1A (0.43) CA1CA2SLC6A4SLC6A3
SCHEMBL6196616 0.74 APOB (0.45) PRMT5CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
EP-2245027-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-11-03 EP disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-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-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PNMT 2342/4885ADRA2A 4127/4885ADRA2B 3726/4885

“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.