SCHEMBL1817581

SCHEMBL1817581

CC1(C)OC[C@H](COc2cccc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.43
▸ CNR2 P34972 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ GPR142 Q7Z601 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PHGDH O43175 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
SCHEMBL1817583 1.00 FGFR4 (0.43) FGFR4CNR2TRPV1SORT1EGFR
SCHEMBL1816970 0.93 FGFR4 (0.43) FGFR4CNR2TRPV1EGFRCA2
SCHEMBL12653751 0.85 CNR2 (0.37) FGFR4CNR2TRPV1KMT2APAX8
SCHEMBL17655412 0.82 FGFR4 (0.46) FGFR4CNR2CA2CA9GPR142
SCHEMBL12959030 0.81 FGFR4 (0.45) FGFR4CNR2CA2CA9GPR142
SCHEMBL12805950 0.81 FGFR4 (0.45) FGFR4CNR2CA2CA9GPR142
SCHEMBL12805953 0.81 FGFR4 (0.45) FGFR4CNR2CA2CA9GPR142
SCHEMBL17655323 0.80 FGFR4 (0.42) FGFR4CNR2SORT1EGFRCA2
SCHEMBL12653771 0.78 FGFR4 (0.54) FGFR4CNR2TRPV1CA2CA9
SCHEMBL18427270 0.78 TRPV1 (0.35) CNR2TRPV1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1940/4885CNR2 1081/4885TRPV1 2147/4885

“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.

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