SCHEMBL10132030

SCHEMBL10132030

CC(C)(C)OC(=O)N[C@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.49
CDC25B P30305 7/20 0.49
PTPN2 P17706 4/20 0.49
CDC25A P30304 3/20 0.49
PPARA Q07869 2/20 0.48
TACR1 P25103 1/20 0.47
CTSS P25774 4/20 0.46
ACE P12821 1/20 0.45
PPARG P37231 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL756405 1.00 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL18183914 1.00 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL13046915 0.91 PTPN1 (0.50) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL14479459 0.90 CYP19A1 (0.48) CTSSCTSLCTSBCTSK
SCHEMBL3331695 0.90 ACE (0.56) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL18183893 0.90 CYP19A1 (0.48) CTSSCTSLCTSBCTSK
SCHEMBL304588 0.90 ACE (0.56) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL19701644 0.88 PTPN1 (0.43) PTPN1CDC25BPTPN2CDC25APPARA
SCHEMBL5358340 0.82 MAPT (0.46) PPARATACR1CTSSACEPPARG
SCHEMBL18681590 0.82 CYP19A1 (0.44) PTPN1CDC25BPTPN2CDC25AACE

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
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-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-7704992-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090202483-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-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (6 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 PTPN1 1524/4885CDC25B 1153/4885PTPN2 1394/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTPN1 1524/4885CDC25B 1153/4885PTPN2 1394/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PTPN1 998/4885CDC25B 1276/4885PTPN2 861/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTPN1 1524/4885CDC25B 1153/4885PTPN2 1394/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTPN1 1524/4885CDC25B 1153/4885PTPN2 1394/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PTPN1 1524/4885CDC25B 1153/4885PTPN2 1394/4885

“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.