SCHEMBL314635

SCHEMBL314635

CCO[PH](=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KIF11 P52732 2/20 0.37
IDO1 P14902 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
BLM P54132 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAOB P27338 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL29034880 0.83 ALDH1A1 (0.37) ALDH1A1LMNACYP2C19TP53ALOX15
SCHEMBL312984 0.81 IDO1 (0.36) IDO1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL12713096 0.79 MAPT (0.36) NPSR1TAAR1ALDH1A1LMNACYP1A2
SCHEMBL12712829 0.76 ACHE (0.35) TAAR1IDO1ALDH1A1CYP1A2CYP2C19
SCHEMBL14820769 0.76 KMT2A (0.35) CYP1A2KMT2AMEN1
SCHEMBL17348014 0.75 CA1 (0.33) CA1CA2CA9
SCHEMBL12013117 0.75 ESR1 (0.42) NPSR1ALDH1A1LMNABLMCYP1A2
SCHEMBL12095490 0.75 TAAR1 (0.40) TAAR1IDO1ALDH1A1LMNACYP2C19
SCHEMBL5002614 0.75 OPRM1 (0.33) IDO1CYP3A4
SCHEMBL313072 0.74 NPSR1 (0.35) NPSR1ALDH1A1TP53KMT2AMEN1

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 21 patents — showing the first 20. 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
EP-2393822-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2010090976-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO 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 NPSR1 3467/4885TAAR1 3934/4885KIF11 2752/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPSR1 3168/4885TAAR1 4704/4885KIF11 4365/4885
US-20140350241-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885TAAR1 3934/4885KIF11 2752/4885
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885TAAR1 3934/4885KIF11 2752/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPSR1 3168/4885TAAR1 4704/4885KIF11 4365/4885
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 NPSR1 3471/4885TAAR1 4074/4885KIF11 2538/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 NPSR1 3467/4885TAAR1 3934/4885KIF11 2752/4885

“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.