SCHEMBL3580345

SCHEMBL3580345

CNc1ccsc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
ABCC1 P33527 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
ACLY P53396 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
AXL P30530 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PRNP P04156 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL27730366 0.98 PTPN2 (0.59) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL1317724 0.82 PKM (0.53) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL3706372 0.81 PTPN2 (0.63) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL1704250 0.80 PTPN2 (0.68) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL3579523 0.80 NPC1 (0.65) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL18193263 0.80 PTPN2 (0.41) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL23931980 0.79 PTPN2 (0.72) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL16396059 0.77 ACLY (0.57) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL1285826 0.77 PTPN2 (0.58) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL5838354 0.76 PTPN1 (1.00) PTPN2PTPN1ABCC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403570-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-11-29 CN claimed
CN-109516982-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2019-03-26 CN claimed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
CN-115403570-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-11-29 CN disclosed
CN-109516982-B Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-08-23 CN disclosed
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2021-07-27 US disclosed
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-08-27 US disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 EP disclosed
CN-109516982-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2019-03-26 CN disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 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-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine OPRM1, OPRD1, OPRK1 PTPN2 3028/4885PTPN1 2930/4885ABCC1 4303/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC PTPN2 3089/4885PTPN1 4001/4885ABCC1 974/4885
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE OPRM1, OPRD1, OPRK1 PTPN2 2750/4885PTPN1 2654/4885ABCC1 4117/4885

“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.