SCHEMBL15022604

SCHEMBL15022604

CCOP(=O)(O)C(F)(F)CCN

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.38
LMNA P02545 1/20 0.38
ADRB3 P13945 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
PPARD Q03181 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
SMPD1 P17405 2/20 0.32
GRM4 Q14833 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15798054 0.80 PNP (0.39) FDPSLMNAADRB3PDE4DPDE3A
SCHEMBL8050312 0.78 FDPS (0.54) FDPSLMNAADRB3PDE4DPDE3A
SCHEMBL267914 0.77 LPAR3 (0.37) FDPSLPAR1LPAR3PPARDTSHR
SCHEMBL8049638 0.76 FDPS (0.61) FDPSLMNAADRB3PDE4DPDE3A
SCHEMBL15022840 0.75 LPAR1 (0.33) LPAR1LPAR3PPARDTSHR
SCHEMBL10128514 0.73 TSHR (0.42) LPAR1LPAR3PPARDTSHRGRM4
SCHEMBL15022714 0.72 FDPS (0.54) FDPSLMNAADRB3PDE4DPDE3A
SCHEMBL3502263 0.71 TSHR (0.40) LMNALPAR1LPAR3PPARDTSHR
SCHEMBL10128548 0.69 PPARD (0.39) LPAR1LPAR3PPARDTSHRGRM4
SCHEMBL11693393 0.69 TSHR (0.48) LPAR1LPAR3PPARDTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-20140171393-A1 NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-06-19 US disclosed
US-20140171393-A1 NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-06-19 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 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-20140171393-A1 NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 FDPS 832/4885LMNA 4755/4885ADRB3 13/4885
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 FDPS 1935/4885LMNA 3781/4885ADRB3 43/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 FDPS 1935/4885LMNA 3781/4885ADRB3 43/4885

“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.