Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104537

SCHEMBL1104537

SCHEMBL1104537

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ EGFR P00533 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ YAP1 P46937 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ PRMT5 O14744 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FFAR2 O15552 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1104546 0.90 YAP1 (0.49) MAPTYAP1PRMT5FFAR2LTA4H
SCHEMBL1104529 0.90 YAP1 (0.49) MAPTYAP1PRMT5FFAR2LTA4H
SCHEMBL840904 0.89 FFAR2 (0.49) YAP1PRMT5FFAR2
SCHEMBL311160 0.89 FFAR2 (0.49) YAP1PRMT5FFAR2
SCHEMBL841242 0.89 FFAR2 (0.49) YAP1PRMT5FFAR2
SCHEMBL20835488 0.88 TYMS (0.48) MEN1KMT2A
SCHEMBL310888 0.87 KCNH2 (0.51) YAP1PRMT5FFAR2LTA4H
SCHEMBL840062 0.87 KCNH2 (0.51) YAP1PRMT5FFAR2LTA4H
SCHEMBL841356 0.87 KCNH2 (0.51) YAP1PRMT5FFAR2LTA4H
SCHEMBL2351853 0.81 TYMS (0.41) FFAR2ALDH1A1MEN1KMT2A

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 MAPT 2729/4885EGFR 4009/4885L3MBTL1 4846/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B MAPT 2335/4885EGFR 3436/4885L3MBTL1 2232/4885

“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.