SCHEMBL313529

SCHEMBL313529

COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)[C@@H]1C[C@H](Oc3cc(-c4nc(C(F)(F)F)cs4)nc4c(C)c(OC)ccc34)CN1C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.56
▸ ADRB3 P13945 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CTSB P07858 2/20 0.40
▸ PPP3CB P16298 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL14823410 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL12356974 0.95 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL3179611 0.95 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL15216111 0.92 ADRB3 (0.56) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL10283477 0.91 CTSS (0.59) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL12369322 0.91 CTSS (0.59) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL15216112 0.87 ADRB3 (0.59) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL15216115 0.86 ADRB3 (0.50) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13090456 0.86 CTSS (0.58) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL12369352 0.86 CTSS (0.61) CTSSADRB3ADRA2BADRA2CCTSB

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-9115095-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2015-08-25 — — US disclosed
US-20140350241-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS LLC 2014-11-27 — — US disclosed
US-8765966-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS LLC 2013-10-10 — — US disclosed
US-8481748-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2013-06-13 — — US disclosed
US-8410313-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
US-8309737-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 — — US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 — — 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-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CTSS 1777/4885ADRB3 4690/4885ADRA2B 4708/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 43/4885ADRB3 4433/4885ADRA2B 4379/4885
US-20140350241-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CTSS 1777/4885ADRB3 4690/4885ADRA2B 4708/4885
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CTSS 1777/4885ADRB3 4690/4885ADRA2B 4708/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 43/4885ADRB3 4433/4885ADRA2B 4379/4885
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 CTSS 1889/4885ADRB3 4667/4885ADRA2B 4701/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CTSS 1777/4885ADRB3 4690/4885ADRA2B 4708/4885

“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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