SCHEMBL3064517

SCHEMBL3064517

O=C(O)N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL3064512 1.00 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL13896380 0.92 CTSB (0.38) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3973075 0.92 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL9909190 0.92 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2235968 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3967124 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2235963 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7874837 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL12844453 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3811003 0.89 CTSB (0.39) CTSBADRB3ADRA2BADRA2CCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 — — US disclosed
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 — — US disclosed
EP-2468286-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-04-23 — — EP disclosed
EP-2340029-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-03-05 — — EP disclosed
US-8642538-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-02-04 — — US disclosed
EP-2658858-A2 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2013-11-06 — — EP disclosed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — US disclosed
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-08-02 — — US disclosed
WO-2012092411-A2 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-07-05 — — WO disclosed
EP-2468286-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 — — US disclosed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 — — 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 (5 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-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 CTSB 65/4885ADRB3 3933/4885ADRA2B 4558/4885
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 CTSB 65/4885ADRB3 3933/4885ADRA2B 4558/4885
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 CTSB 92/4885ADRB3 4212/4885ADRA2B 4747/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 CTSB 65/4885ADRB3 3933/4885ADRA2B 4558/4885
US-20100196321-A1 COMPOUNDS HAVCR2, ACE, ACE2 CTSB 587/4885ADRB3 1682/4885ADRA2B 2220/4885

“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.

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