SCHEMBL16898112

SCHEMBL16898112

O=C(O)C(CO)CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ GRIK1 P39086 1/20 0.51
▸ CPA3 P15088 3/20 0.50
▸ LAP3 P28838 3/20 0.49
▸ ERAP2 Q6P179 2/20 0.49
▸ ERAP1 Q9NZ08 2/20 0.49
▸ ANPEP P15144 1/20 0.49
▸ CPA1 P15085 2/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ CPB1 P15086 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.48
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL16898110 1.00 CYP1A2 (0.55) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL27675637 1.00 CYP1A2 (0.55) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL1857365 0.90 CYP1A2 (0.61) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL18241165 0.89 GRIK1 (0.66) CYP1A2GRIK1CPA3CPA1FOLH1
SCHEMBL18241164 0.89 GRIK1 (0.66) CYP1A2GRIK1CPA3CPA1FOLH1
SCHEMBL7439191 0.88 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439193 0.88 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
Water SCHEMBL4010621 0.88 CYP1A2 (0.59) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439419 0.88 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL3272788 0.86 CYP1A2 (0.53) CYP1A2GRIK1CPA3LAP3ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100546975-C Midbody compound, the Its Preparation Method And Use of preparation ecadotril SHANGHAI INST PHARM INDUSTRY (CN) 2009-10-07 — — CN claimed
CN-100537531-C Preparation process of cadotril SHANGHAI INST OF MEDICINE INDU (CN) 2009-09-09 — — CN claimed
CN-100537522-C Intermediate compound for preparing dextro cadotril and its preparation process and use SHANGHAI INST OF MEDICINE INDU (CN) 2009-09-09 — — CN claimed
CN-1931829-A Intermediate compound for preparing ecadotril and its prepn process and use SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN claimed
CN-1931830-A Intermediate compound for preparing dextro cadotril and its prepn process and use SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN claimed
CN-1931837-A Prepn process of cadotril SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN claimed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 — — US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 — — US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 — — US disclosed
CN-109970797-A Hydroxyformamide derivatives and application thereof 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-07-05 — — CN disclosed
CN-106103431-B Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-03-15 — — CN disclosed
WO-2017006295-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-12 — — WO disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 — — US disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 — — WO disclosed
CN-100546975-C Midbody compound, the Its Preparation Method And Use of preparation ecadotril SHANGHAI INST PHARM INDUSTRY (CN) 2009-10-07 — — CN disclosed
CN-100537522-C Intermediate compound for preparing dextro cadotril and its preparation process and use SHANGHAI INST OF MEDICINE INDU (CN) 2009-09-09 — — CN disclosed
CN-100537531-C Preparation process of cadotril SHANGHAI INST OF MEDICINE INDU (CN) 2009-09-09 — — CN disclosed
CN-1931829-A Intermediate compound for preparing ecadotril and its prepn process and use SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN disclosed
CN-1931830-A Intermediate compound for preparing dextro cadotril and its prepn process and use SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN disclosed
CN-1931837-A Prepn process of cadotril SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885GRIK1 4462/4885CPA3 3887/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885GRIK1 4462/4885CPA3 3887/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 CYP1A2 1422/4885GRIK1 4462/4885CPA3 3887/4885

“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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