SCHEMBL1708614

SCHEMBL1708614

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C(F)(F)F)nc5ccccc54)c3C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
FFAR1 O14842 9/20 0.36
ALDH1A1 P00352 2/20 0.36
APEX1 P27695 1/20 0.36
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RORC P51449 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10008944 0.93 FFAR1 (0.41) FFAR1PPARDPPARG
SCHEMBL1708136 0.92 FFAR1 (0.38) LMNAFFAR1RORCPPARDPPARG
SCHEMBL10291337 0.90 TSHR (0.39) LMNAFFAR1ALDH1A1TSHRTP53
SCHEMBL1708164 0.89 FFAR1 (0.37) LMNAFFAR1ALDH1A1TSHRMAPK1
SCHEMBL1708157 0.89 FFAR1 (0.38) LMNAFFAR1ALDH1A1TSHRTP53
SCHEMBL1708074 0.88 ALDH1A1 (0.36) LMNAFFAR1ALDH1A1TSHRMAPK1
SCHEMBL1708632 0.88 FFAR1 (0.36) LMNAFFAR1ALDH1A1TSHRMAPK1
SCHEMBL1708146 0.88 FFAR1 (0.36) LMNAFFAR1TSHRMAPK1PPARD
SCHEMBL1708113 0.87 FFAR1 (0.40) LMNAFFAR1ALDH1A1TSHRMAPK1
SCHEMBL10008444 0.86 FFAR1 (0.43) FFAR1PPARDPPARG

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 4 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
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 LMNA 4537/4885FFAR1 20/4885ALDH1A1 3930/4885

“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.