SCHEMBL2479213

SCHEMBL2479213

CCCCCC([C]=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.73
TDP1 Q9NUW8 6/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 2/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CNR2 P34972 2/20 0.38

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
SCHEMBL10038443 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21769329 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813368 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL423924 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813371 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248300 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248303 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10286412 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12654818 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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
US-20230139516-A1 RIPK2 INHIBITION FOR THE TREATMENT OF CANCER CEDARS-SINAI MEDICAL CENTER (US) 2023-05-04 US disclosed
EP-4127216-A1 RIPK2 INHIBITION FOR THE TREATMENT OF CANCER Cedars-Sinai Medical Center (US) 2023-02-08 EP disclosed
US-11161888-B2 Method for regulating targeting of Cyclin Y (CCNY) protein to synapses KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-11-02 US disclosed
WO-2021202428-A1 RIPK2 INHIBITION FOR THE TREATMENT OF CANCER CEDARS-SINAI MEDICAL CENTER (US) 2021-10-07 WO disclosed
US-20200408766-A1 Palmitoyl Protein Biomarkers in Purified Extracellular Vesicles for Early Identification of Clinically Significant Prostate Cancer CEDARS-SINAI MEDICAL CENTER (US) 2020-12-31 US disclosed
US-10781471-B2 NRAS related cancer therapy RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2020-09-22 US disclosed
US-20200140507-A1 METHOD FOR REGULATING TARGETING OF NOVEL SYNAPTIC PROTEIN, CCNY PROTEIN, TO SYNAPSES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-05-07 US disclosed
US-20190151258-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES 2019-05-23 US disclosed
EP-2694047-B1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME US HEALTH (US) 2018-11-28 EP disclosed
US-20170367998-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES 2017-12-28 US disclosed
US-20170362633-A1 NRAS RELATED CANCER THERAPY BRANDEIS UNIVERSITY 2017-12-21 US disclosed
US-9629816-B2 Small molecule therapeutic compounds targeting thioesterase deficiency disorders and methods of using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2017-04-25 US disclosed
WO-2016090276-A1 NRAS RELATED CANCER THERAPY BRANDEIS UNIVERSITY (US) 2016-06-09 WO disclosed
US-20140148513-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-05-29 US disclosed
EP-2694047-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2014-02-12 EP disclosed
US-20130101582-A1 Tiki1 and Tiki2, Wnt Inhibitors CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-04-25 US disclosed
WO-2012139119-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-10-11 WO disclosed
US-20110231942-A1 TIKI1 AND TIKI2, WNT INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-22 US disclosed