SCHEMBL4590265

SCHEMBL4590265

CSSN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MC4R P32245 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 1/20 0.43
MAP2K7 O14733 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
POLB P06746 1/20 0.40
TTR P02766 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A2 P05177 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL31490022 0.85 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL3848372 0.85 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL21889820 0.82 ERCC1 (0.53) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL577923 0.81 ALDH1A1 (0.47) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL31314863 0.75 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL2330083 0.75 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL11568728 0.74 CASP3 (0.45) ALDH1A1MAPTPKMHPGDALOX15
Pyridine SCHEMBL5081848 0.72 HTT (0.46) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL11748785 0.71 ALDH1A1 (0.47) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL3851030 0.71 ALDH1A1 (0.47) ALDH1A1MAPTPKMHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590158-B2 Total synthesis of shishijimicin A and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-03-17 US disclosed
US-20180327439-A1 TOTAL SYNTHESIS OF SHISHIJIMICIN A AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-15 US disclosed
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US disclosed
US-7335775-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-26 US disclosed
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-7129254-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-31 US disclosed
EP-1524979-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2005-04-27 EP disclosed
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-02-03 US disclosed
WO-2004012735-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2004-02-12 WO disclosed
EP-0793497-B1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN KETTERING INST CANCER (US) 2003-02-12 EP disclosed
EP-0793497-A4 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-01-28 EP disclosed
WO-1997041109-A1 SYNTHESIS OF (±) - CALICHEAMICINONE, PRECURSORS, INTERMEDIATES AND DERIVATIVES UNIVERSITY OF ALBERTA (CA) 1997-11-06 WO disclosed
EP-0793497-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1997-09-10 EP disclosed
US-5622958-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-04-22 US disclosed
WO-1996016655-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-06 WO disclosed
EP-0454494-B1 Calicheamicinone, derivatives and analogs thereof and methods of making the same UNIV YALE (US) 1995-09-20 EP disclosed
US-5384412-A 4-trihydrocarbylsiloxy-6-methyltetrahydropyran derivatives; anticarcinogenic agents THE SCRIPPS RESEARCH INSTITUTE (US) 1995-01-24 US disclosed
US-5264586-A Antibiotics, antitumor, chemical intermediates THE SCRIPPS RESEARCH INSTITUTE (US) 1993-11-23 US disclosed
WO-1993001810-A1 ANALOGS OF CALICHEAMICIN η1I, METHOD OF MAKING AND USING THE SAME THE SCRIPPS RESEARCH INSTITUTE (US) 1993-02-04 WO disclosed
EP-0454494-A2 Calicheamicinone, derivatives and analogs thereof and methods of making the same YALE UNIVERSITY (US) 1991-10-30 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 (5 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-10590158-B2 Total synthesis of shishijimicin A and analogs thereof SYK, UGT1A7, FCGRT ALDH1A1 809/4885MAPT 1590/4885PKM 1289/4885
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK ALDH1A1 1845/4885MAPT 3760/4885PKM 3262/4885
US-20180327439-A1 TOTAL SYNTHESIS OF SHISHIJIMICIN A AND ANALOGS THEREOF SYK, UGT1A7, FCGRT ALDH1A1 809/4885MAPT 1590/4885PKM 1289/4885
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK ALDH1A1 1845/4885MAPT 3760/4885PKM 3262/4885
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK ALDH1A1 1845/4885MAPT 3760/4885PKM 3262/4885

“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.