SCHEMBL8049489

SCHEMBL8049489

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MMP13 P45452 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
TP53 P04637 1/20 0.36
EPHX2 P34913 2/20 0.36
EPHX1 P07099 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL3265130 1.00 MMP2 (0.42) MMP2CA12CA1CA2CA9
SCHEMBL5988909 0.98 MMP2 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL12654802 0.98 MMP2 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL5988923 0.94 MMP2 (0.36) MMP2CA12CA1CA2CA9
SCHEMBL12147599 0.94 MMP2 (0.36) MMP2CA12CA1CA2CA9
SCHEMBL890063 0.90 AAK1 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL890115 0.90 AAK1 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL12402478 0.90 AAK1 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL10072223 0.86 MMP2 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL204610 0.85 MMP2 (0.44) MMP2CA12CA1CA2CA9

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 27 patents — showing the first 20. 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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 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-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 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-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8263549-B2 C5-substituted, proline-derived, macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-11 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8030307-B2 Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease ENANTA PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090175822-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-09 US disclosed
WO-2009070689-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC MMP2 1409/4885CA12 4380/4885CA1 4836/4885
US-20090175822-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PREP, PRSS1, CTSC MMP2 251/4885CA12 2686/4885CA1 1711/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MMP2 19/4885CA12 3198/4885CA1 2294/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 MMP2 191/4885CA12 2641/4885CA1 2946/4885

“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.