Sugi Predict

Sugi Predict / Compounds / SCHEMBL2468068

SCHEMBL2468068

SCHEMBL2468068

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 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
SCHEMBL29620246 1.00 HTT (0.52) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2150376 0.96 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL20631194 0.95 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL16067368 0.95 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL12221992 0.94 HTT (0.47) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL1742989 0.94 POLB (0.47) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL3325751 0.92 LMNA (0.50) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL4374707 0.92 LMNA (0.50) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL13785253 0.92 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL4377808 0.92 LMNA (0.50) HTTPOLBNPC1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702473-B2 Site-specific antibody-drug conjugates MEDIMMUNE LIMITED (GB) 2023-07-18 — — US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
CN-108093640-B Site-specific antibody-drug conjugates ADC治疗股份有限公司 2022-05-17 — — CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 — — CN disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US 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
US-20200399365-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2020-12-24 — — US disclosed
US-20180303953-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES ADC THERAPEUTICS S.A. (CH) 2018-10-25 — — US disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 — — EP disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 — — EP disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 — — US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 — — US disclosed
EP-1413582-B1 Dimeric pyrrolobenzodiazepines SPIROGEN LTD (GB) 2006-03-15 — — EP disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 — — EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 — — EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 — — US disclosed
EP-1193270-B1 Pyrrolobenzodiazepines SPIROGEN LTD (GB) 2003-05-14 — — EP disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 — — 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 (6 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-20200399365-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES SBDS, DCTD, DRD1 HTT 3051/4885POLB 2360/4885NPC1 3503/4885
US-20180303953-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES ERBB2, SBDS, CD22 HTT 2775/4885POLB 4314/4885NPC1 4761/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B HTT 3654/4885POLB 1391/4885NPC1 3841/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A HTT 3275/4885POLB 2445/4885NPC1 4687/4885
US-11702473-B2 Site-specific antibody-drug conjugates SBDS, DCTD, DRD1 HTT 3051/4885POLB 2360/4885NPC1 3503/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 HTT 955/4885POLB 720/4885NPC1 749/4885

“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.