SCHEMBL2011380

SCHEMBL2011380

CCCCCCCCc1ccc(CCC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.38
LIPG Q9Y5X9 5/20 0.38
SPHK1 Q9NYA1 4/20 0.32
SPHK2 Q9NRA0 3/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
GLS O94925 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 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
SCHEMBL12632528 0.91 SPHK1 (0.31) SPHK1SPHK2GLSPPARGPPARA
SCHEMBL2052924 0.85 PPARA (0.33) SPHK1SPHK2GLSPPARGPPARA
SCHEMBL2724637 0.84 THRA (0.40) SPHK1SPHK2THRATHRB
SCHEMBL12610038 0.78 PLK1 (0.31)
SCHEMBL12610036 0.78 GLS (0.33) GLSPPARGPPARA
SCHEMBL4137663 0.77 THRA (0.36) PPARGPPARATHRATHRB
SCHEMBL4149000 0.77 THRA (0.36) PPARGPPARATHRATHRB
SCHEMBL1603291 0.77 CYP4A11 (0.39) SPHK1GLSPPARA
SCHEMBL15804691 0.77 CYP4A11 (0.39) SPHK1GLSPPARA
SCHEMBL4143290 0.76 THRA (0.35) PPARGPPARATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509938-A1 FTY720 HALOGENATED DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
WO-2011070066-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO 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 (1 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-20120244071-A1 FTY720 HALOGENATED DERIVATIVES S1PR1, S1PR3, S1PR2 LPL 2487/4885LIPG 1648/4885SPHK1 7/4885

“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.