SCHEMBL313630

SCHEMBL313630

C=Cc1cc(P(=O)(OCC)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL15216138 1.00 NPSR1 (0.32) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL15216134 0.93 RXFP1 (0.34) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL313534 0.93 RXFP1 (0.34) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL15216135 0.84 ALDH1A1 (0.37) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL10136705 0.84 ALDH1A1 (0.37) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL15216136 0.83 KMT2A (0.40) GAAMEN1KMT2A
SCHEMBL313267 0.83 KMT2A (0.40) GAAMEN1KMT2A
SCHEMBL3178212 0.82 PTPN5 (0.34) RXFP1RXRARXRBRXRG
SCHEMBL608898 0.81 ADAM17 (0.36) GAAMEN1KMT2A
SCHEMBL608882 0.79 HTR2A (0.34) NPSR1MEN1KMT2A

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 12 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-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2013-06-13 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-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-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 (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-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885LMNA 4670/4885GAA 4506/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPSR1 3168/4885LMNA 1968/4885GAA 368/4885
US-20140350241-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885LMNA 4670/4885GAA 4506/4885
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885LMNA 4670/4885GAA 4506/4885
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 NPSR1 3471/4885LMNA 4697/4885GAA 4520/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885LMNA 4670/4885GAA 4506/4885

“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.