Sugi Predict

Sugi Predict / Compounds / SCHEMBL1647486

SCHEMBL1647486

SCHEMBL1647486

C=C1CNC(C(=O)OC)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KMT2A Q03164 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ CHRNB4 P30926 1/20 0.32

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
SCHEMBL19035840 1.00 KDM4E (0.47) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1647487 1.00 KDM4E (0.47) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2532454 0.98 KDM4E (0.46) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2532450 0.98 KDM4E (0.46) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL15219796 0.81 MAPK1 (0.35) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL5960566 0.81 CYP1A2 (0.38) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL8093133 0.80 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL202781 0.78 ALDH1A1 (0.48) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL202780 0.78 ALDH1A1 (0.48) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL8289297 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 — — CN disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 — — CN disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 — — EP disclosed
CN-110099682-A Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2019-08-06 — — CN disclosed
EP-3041846-B1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION OF DRUGS TO CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO LTD (CN) 2018-11-07 — — EP disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 — — WO disclosed
US-9988408-B2 Cytotoxic agents for conjugation to a cell binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2018-06-05 — — US disclosed
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 — — US disclosed
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 — — US disclosed
US-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2016-07-21 — — US disclosed
EP-2662095-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2013-11-13 — — EP disclosed
EP-2528625-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2013-07-10 — — EP disclosed
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 — — US disclosed
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 — — US disclosed
WO-2011130598-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 — — WO disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 — — EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 — — 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 (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-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE PDCD5, CD4, PDCD6 KDM4E 3876/4885HSD17B10 3624/4885CYP1A2 3074/4885
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 KDM4E 2183/4885HSD17B10 853/4885CYP1A2 1912/4885
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 KDM4E 2183/4885HSD17B10 853/4885CYP1A2 1912/4885

“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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