SCHEMBL14930660

SCHEMBL14930660

COC(=O)N[C@H](C(=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
MMP2 P08253 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.35
NPR3 P17342 1/20 0.34
EPHX1 P07099 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL14930603 1.00 AAK1 (0.42) AAK1MMP2CA12CA1CA2
SCHEMBL18923122 1.00 AAK1 (0.42) AAK1MMP2CA12CA1CA2
SCHEMBL18923062 0.98 AAK1 (0.43) AAK1MMP2CA12CA1CA2
SCHEMBL14930617 0.98 AAK1 (0.43) AAK1MMP2CA12CA1CA2
SCHEMBL13132245 0.91 AAK1 (0.38) AAK1
SCHEMBL8907612 0.91 AAK1 (0.38) AAK1
SCHEMBL8907811 0.91 AAK1 (0.38) AAK1
SCHEMBL8907579 0.84 AAK1 (0.43) AAK1MMP2ALDH1A1MMP1MMP3
SCHEMBL18923061 0.84 AAK1 (0.43) AAK1MMP2ALDH1A1MMP1MMP3
SCHEMBL8907537 0.84 AAK1 (0.43) AAK1MMP2ALDH1A1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (7 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF AAK1 3260/4885MMP2 1404/4885CA12 1570/4885
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF HAVCR2, SLC10A1, SORD AAK1 2936/4885MMP2 3120/4885CA12 2214/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD AAK1 3325/4885MMP2 3357/4885CA12 2287/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC AAK1 1946/4885MMP2 1409/4885CA12 4380/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 AAK1 2376/4885MMP2 2546/4885CA12 4754/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF AAK1 3260/4885MMP2 1404/4885CA12 1570/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 AAK1 3599/4885MMP2 2125/4885CA12 1859/4885

“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.