SCHEMBL313534

SCHEMBL313534

C=Cc1cc(P(=O)(OCC)c2ccc(C(F)(F)F)cc2)ccc1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
FPR2 P25090 2/20 0.33
SLC6A9 P48067 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 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
SCHEMBL15216134 1.00 RXFP1 (0.34) RXFP1FPR2SLC6A9NPSR1LMNA
SCHEMBL313630 0.93 NPSR1 (0.32) RXFP1NPSR1LMNAGAAMEN1
SCHEMBL15216138 0.93 NPSR1 (0.32) RXFP1NPSR1LMNAGAAMEN1
SCHEMBL15216135 0.88 ALDH1A1 (0.37) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL10136705 0.88 ALDH1A1 (0.37) NPSR1LMNAGAAMEN1KMT2A
SCHEMBL313267 0.86 KMT2A (0.40) GAAMEN1KMT2AMAPTHDAC1
SCHEMBL15216136 0.86 KMT2A (0.40) GAAMEN1KMT2AMAPTHDAC1
SCHEMBL608898 0.84 ADAM17 (0.36) GAAMEN1KMT2AMAPT
SCHEMBL3182252 0.82 PTPN5 (0.37) RXFP1SLC6A9SCN8ASCN10AKMT2A
SCHEMBL608882 0.80 HTR2A (0.34) NPSR1MEN1KMT2AMAPTP2RX3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RXFP1 3649/4885FPR2 2854/4885SLC6A9 3379/4885
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 RXFP1 4706/4885FPR2 3609/4885SLC6A9 1581/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 RXFP1 4664/4885FPR2 3639/4885SLC6A9 1702/4885

“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.