SCHEMBL1486271

SCHEMBL1486271

CCCC[C@H](N)[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 5/20 0.61
▸ ERAP2 Q6P179 5/20 0.61
▸ BIRC2 Q13490 1/20 0.59
▸ ERAP1 Q9NZ08 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ ATM Q13315 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ ANPEP P15144 1/20 0.49

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
SCHEMBL29498151 0.87 BIRC2 (0.62) ERAP2BIRC2ERAP1ALDH1A1THRB
SCHEMBL29498141 0.84 ALDH1A1 (0.59) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30906720 0.83 IL1RN (0.63) IL1RNERAP2BIRC2ERAP1ALDH1A1
SCHEMBL24345964 0.82 BIRC2 (0.66) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL5812534 0.82 LAP3 (0.55) ANPEP
SCHEMBL21570273 0.82 LAP3 (0.55) ANPEP
SCHEMBL5812528 0.82 LAP3 (0.55) ANPEP
SCHEMBL21570275 0.82 LAP3 (0.55) ANPEP
SCHEMBL2632987 0.82 REN (0.48) IL1RNERAP2BIRC2ANPEP
SCHEMBL464256 0.82 MMP1 (0.53) IL1RNERAP2BIRC2ERAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2012-08-02 — — US disclosed
US-8163943-B2 Epoxycarboxamide compound, azide compound, and amino alcohol compound, and process for preparing α-keto amide compound using them SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-04-24 — — US disclosed
US-8163943-B2 Epoxycarboxamide compound, azide compound, and amino alcohol compound, and process for preparing α-keto amide compound using them SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-04-24 — — US disclosed
EP-2289888-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 — — EP disclosed
EP-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 — — EP disclosed
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-13 — — US disclosed
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-13 — — US disclosed
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-06 — — US disclosed
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-06 — — US disclosed
US-7326799-B2 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2008-02-05 — — US disclosed
US-7326799-B2 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2008-02-05 — — US disclosed
US-20030153788-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU CORPORATION (JP) 2003-08-14 — — US disclosed
EP-1295876-A1 EPOXYCARBOXYLIC ACID AMIDES, AZIDES AND AMINO ALCOHOLS AND PROCESSES FOR PREPARATION OF ALPHA-KETO AMIDES BY USING THEM SEIKAGAKU CORPORATION (JP) 2003-03-26 — — EP 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 (4 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-20030153788-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, KDM8, CMA1 IL1RN 875/4885ERAP2 392/4885BIRC2 2746/4885
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, CMA1, AKR1A1 IL1RN 697/4885ERAP2 608/4885BIRC2 3032/4885
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM AKR1C1, AKR1C4, AADAC IL1RN 4009/4885ERAP2 1818/4885BIRC2 2076/4885
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents CMA1, REN, TPSAB1 IL1RN 526/4885ERAP2 334/4885BIRC2 2732/4885

“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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