SCHEMBL3057026

SCHEMBL3057026

O=C(N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4ccccc34)CN2C1=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.43
▸ CYP3A4 P08684 2/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CTSS P25774 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
SCHEMBL3057019 1.00 CTSB (0.43) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL15732827 1.00 CTSB (0.43) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2795208 0.92 CYP3A4 (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2795202 0.92 CYP3A4 (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3068076 0.92 CTSB (0.47) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3068070 0.92 CTSB (0.47) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2158796 0.92 CTSB (0.47) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2799272 0.91 CTSB (0.39) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2799276 0.91 CTSB (0.39) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2132808 0.90 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C

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 23 patents — showing the first 20. 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 claimed
EP-2805726-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2014-11-26 — — EP claimed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 — — US claimed
EP-2340029-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-03-05 — — EP claimed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 — — US claimed
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-08-02 — — US claimed
EP-2468285-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP claimed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 — — US claimed
EP-2805726-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2018-05-02 — — EP disclosed
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 — — US disclosed
EP-2805726-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2014-11-26 — — EP disclosed
EP-2468285-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2014-10-15 — — EP disclosed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 — — US disclosed
EP-2468287-B1 Macrocyclic hepatitis c serine protease inhibitors ENANTA PHARM INC (US) 2014-04-23 — — EP disclosed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 — — US disclosed
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-08-02 — — US disclosed
EP-2468285-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
EP-2468286-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
EP-2468287-A1 Macrocyclic hepatitis c serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP 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 (3 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 65/4885CYP3A4 235/4885ADRB3 3933/4885
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 CTSB 65/4885CYP3A4 235/4885ADRB3 3933/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 CTSB 65/4885CYP3A4 235/4885ADRB3 3933/4885

“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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