SCHEMBL16276108

SCHEMBL16276108

COc1cccc(NC(=O)[C@H]2O[C@@H]2C(=O)N(Cc2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ PTGES O14684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL16276118 0.86 NPC1 (0.47) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL16276114 0.84 EGFR (0.47) F13A1TGM2POLBKMT2AMEN1
SCHEMBL16276131 0.84 F13A1 (0.57) USP2F13A1TGM2RAB9APOLB
SCHEMBL19597031 0.84 PTPRB (0.46) F13A1TGM2RAB9APOLBNPC1
SCHEMBL16276103 0.84 PTPRB (0.46) F13A1TGM2RAB9APOLBNPC1
SCHEMBL16276104 0.84 EGFR (0.47) F13A1TGM2POLBKMT2AMEN1
SCHEMBL17676848 0.82 PTGES (0.47) RAB9ANPC1PTGESALOX5KMT2A
SCHEMBL17708324 0.81 MAPT (0.46) F13A1TGM2RAB9ANPC1KMT2A
SCHEMBL16276130 0.80 ALDH1A1 (0.47) F13A1TGM2RAB9ANPC1KMT2A
SCHEMBL16276132 0.78 THRB (0.46) F13A1TGM2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630957-B2 2,3-butanediamide epoxide compound and preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-04-25 — — US disclosed
US-9630957-B2 2,3-butanediamide epoxide compound and preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-04-25 — — US disclosed
US-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-04-28 — — US disclosed
US-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-04-28 — — US disclosed
WO-2014190899-A1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2014-12-04 — — 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-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof ECE2, GNE, EPHX2 USP2 2587/4885F13A1 2058/4885TGM2 4064/4885

“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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