Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104528

SCHEMBL1104528

SCHEMBL1104528

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.48
▸ TP53 P04637 1/20 0.44
▸ PRMT5 O14744 4/20 0.43
▸ ADAM17 P78536 3/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL484710 0.92 YAP1 (0.46) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL311656 0.92 YAP1 (0.46) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL483558 0.92 YAP1 (0.45) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL484203 0.92 YAP1 (0.45) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL483557 0.92 YAP1 (0.45) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL483518 0.92 YAP1 (0.45) YAP1TP53PRMT5ADAM17KCNH2
Ethane SCHEMBL483694 0.92 YAP1 (0.45) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL1104539 0.92 YAP1 (0.44) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL10167537 0.87 YAP1 (0.46) YAP1TP53PRMT5ADAM17KCNH2
SCHEMBL10167532 0.86 YAP1 (0.44) YAP1TP53PRMT5ADAM17KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 — — EP 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-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 — — US disclosed
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 — — US disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 — — US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 — — 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-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
WO-2008090115-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO 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 (5 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 YAP1 4844/4885TP53 4140/4885PRMT5 1780/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 YAP1 1640/4885TP53 4018/4885PRMT5 3104/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A YAP1 3171/4885TP53 4504/4885PRMT5 3219/4885
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS TACR2, TACR1, KCNH3 YAP1 2730/4885TP53 4407/4885PRMT5 3741/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B YAP1 3425/4885TP53 4347/4885PRMT5 319/4885

“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.