SCHEMBL1104539

SCHEMBL1104539

CCOC(=O)[C@@]1(C)CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.44
ADAM17 P78536 1/20 0.44
TP53 P04637 1/20 0.42
PRMT5 O14744 3/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 2/20 0.41
KCNH2 Q12809 1/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL1104528 0.92 YAP1 (0.48) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL483558 0.90 YAP1 (0.45) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL484203 0.90 YAP1 (0.45) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL483518 0.90 YAP1 (0.45) YAP1ADAM17TP53PRMT5KCNH2
Ethane SCHEMBL483694 0.90 YAP1 (0.45) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL483557 0.90 YAP1 (0.45) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL311656 0.88 YAP1 (0.46) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL484710 0.88 YAP1 (0.46) YAP1ADAM17TP53PRMT5KCNH2
SCHEMBL483258 0.82 PRMT5 (0.45) YAP1TP53PRMT5MAPTKCNH2
SCHEMBL4770854 0.82 PRMT5 (0.45) YAP1TP53PRMT5MAPTKCNH2

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-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (2 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 YAP1 1640/4885ADAM17 2157/4885TP53 4018/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B YAP1 3425/4885ADAM17 4351/4885TP53 4347/4885

“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.