SCHEMBL1708136

SCHEMBL1708136

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C(F)(F)F)nc5cc(OC)ccc54)c3C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RORC P51449 1/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.34
PPARD Q03181 3/20 0.34
KIF11 P52732 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL10008444 0.94 FFAR1 (0.43) FFAR1PPARDPPARG
SCHEMBL1708614 0.92 LMNA (0.39) FFAR1LMNARORCPPARDPPARG
SCHEMBL1708439 0.90 FFAR1 (0.40) FFAR1LMNAPOLBGAAGFER
SCHEMBL1708638 0.88 FFAR1 (0.37) FFAR1POLBGAAGFERNPC1
SCHEMBL1708011 0.86 LMNA (0.43) FFAR1LMNANPC1PPARDPPARG
SCHEMBL1708140 0.85 FFAR1 (0.38) FFAR1POLBGAAGFERNPC1
SCHEMBL10008944 0.84 FFAR1 (0.41) FFAR1PPARDPPARG
SCHEMBL1708691 0.84 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL1708153 0.84 SMN1; SMN2 (0.40) FFAR1LMNANPC1PPARD
SCHEMBL1708095 0.84 SMN1; SMN2 (0.39) FFAR1LMNAGAAGFERNPC1

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
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885LMNA 4537/4885POLB 4829/4885

“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.