SCHEMBL3046863

SCHEMBL3046863

C=CCOC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.60
▸ SLC7A5 Q01650 1/20 0.60
▸ HRH4 Q9H3N8 3/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL388562 0.84 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5503979 0.82 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL29183811 0.82 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.82 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.82 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3393715 0.81 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL93943 0.81 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28504890 0.81 CYP3A4 (0.57) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3435176 0.81 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL153062 0.81 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767826-B2 Process for the synthesis of L-(+)-ergothioneine PHARMATECH INTERNATIONAL, INC. (US) 2010-08-03 — — US claimed
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. 2009-04-09 — — US claimed
WO-2009045413-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. (US) 2009-04-09 — — WO claimed
CN-1133173-A Preparation of diuretic by using neuropsychic tension antagonist SANOFI SA (FR) 1996-10-16 — — CN claimed
WO-2023217589-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 — — WO disclosed
WO-2023217590-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 — — WO disclosed
WO-2023155006-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2023-08-24 — — WO disclosed
US-20200369727-A1 COMPOSITION AND METHOD FOR TREATING A PATIENT HAVING LIVER CIRRHOSIS KING ABDULAZIZ UNIVERSITY (SA) 2020-11-26 — — US disclosed
US-20200308228-A1 PEPTIDE INHIBITORS OF HCV NS3/4A PROTEASE COMPRISING NON-PROTEINOGENIC AMINO RESIDUES KING ABDULAZIZ UNIVERSITY (SA) 2020-10-01 — — US disclosed
CN-107267517-A Noval chemical compound for treating, delaying and/or preventing human genetic disease's such as type of steirert-Batten-Gibb syndrome 1 比奥马林技术公司 2017-10-20 — — CN disclosed
CN-103747805-B Compounds for the treatment, delay of progression and/or prevention of human genetic disorders such as myotonic dystrophy type 1 (DM 1) 比奥马林技术公司 2017-08-29 — — CN disclosed
US-7767826-B2 Process for the synthesis of L-(+)-ergothioneine PHARMATECH INTERNATIONAL, INC. (US) 2010-08-03 — — US disclosed
CN-1674891-A Porphyrin oxygen infusion preparation for increasing oxygen concentration in tumor tissue NIPRO CORP (JP) 2005-09-28 — — CN disclosed
EP-1572244-A1 ORAL FORMULATIONS FOR POORLY ABSORPTIVE HYDROPHILIC DRUGS Chong Kun Dang Pharmaceutical Corp. (KR) 2005-09-14 — — EP disclosed
EP-1512399-A1 PORPHYRIN OXYGEN INFUSION PREPARATION FOR INCREASING OXYGEN CONCENTRATION IN TUMOR TISSUE Nipro Corporation (JP) 2005-03-09 — — EP disclosed
WO-2004052405-A1 ORAL FORMULATIONS FOR POORLY ABSORPTIVE HYDROPHILIC DRUGS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-06-24 — — WO disclosed
CN-1133173-A Preparation of diuretic by using neuropsychic tension antagonist SANOFI SA (FR) 1996-10-16 — — CN disclosed
WO-1990006914-A1 N-ALKYLATION OF N-ALPHA-BOC-PROTECTED AMINO ACIDS THE UPJOHN COMPANY (US) 1990-06-28 — — WO disclosed
US-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 — — 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 (3 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-20200308228-A1 PEPTIDE INHIBITORS OF HCV NS3/4A PROTEASE COMPRISING NON-PROTEINOGENIC AMINO RESIDUES DPP4, CTRL, GTF3C4 CYP3A4 328/4885SLC7A5 2931/4885HRH4 2934/4885
US-20200369727-A1 COMPOSITION AND METHOD FOR TREATING A PATIENT HAVING LIVER CIRRHOSIS RNGTT, RNASE1, FABP1 CYP3A4 363/4885SLC7A5 3881/4885HRH4 2626/4885
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE TTPA, DTYMK, TST CYP3A4 1118/4885SLC7A5 205/4885HRH4 390/4885

“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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