SCHEMBL313130

SCHEMBL313130

COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CN1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ NOTCH1 P46531 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 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
SCHEMBL16628787 0.83 POLB (0.40) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL16628788 0.83 POLB (0.40) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL2843887 0.83 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL2843889 0.83 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL6760115 0.83 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL8238400 0.83 POLB (0.37) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL14020643 0.80 POLB (0.38) POLBSMN1; SMN2MAPTALDH1A1PTPN2
SCHEMBL8003568 0.80 CTSB (0.35) CTSBCTSS
SCHEMBL312570 0.80 CTSB (0.35) CTSBCTSS
SCHEMBL12730845 0.77 SMN1; SMN2 (0.37) POLBSMN1; SMN2MAPTALDH1A1PTPN2

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 16 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
EP-2803658-A1 Phosphinate ruthenium complexes IDENIX Pharmaceuticals, Inc. (US) 2014-11-19 — — EP 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
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 — — EP 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 POLB 282/4885SMN1; SMN2 4181/4885MAPT 3447/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 POLB 4050/4885SMN1; SMN2 2582/4885MAPT 3005/4885
US-20140350241-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 POLB 282/4885SMN1; SMN2 4181/4885MAPT 3447/4885
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 POLB 282/4885SMN1; SMN2 4181/4885MAPT 3447/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 POLB 4050/4885SMN1; SMN2 2582/4885MAPT 3005/4885
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 POLB 230/4885SMN1; SMN2 4274/4885MAPT 3415/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 POLB 282/4885SMN1; SMN2 4181/4885MAPT 3447/4885

“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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