SCHEMBL2684237

SCHEMBL2684237

CCOC(=O)Cc1ccsc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL6759614 0.84 CYP4F2 (0.53) PKMMAPTNPSR1NPC1POLB
SCHEMBL2684136 0.83 KMT2A (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6626640 0.80 SMN1; SMN2 (0.45) PKMKMT2AMEN1TDP1MAPT
SCHEMBL28190418 0.80 PKM (0.43) PKMKMT2AMEN1TDP1MAPT
SCHEMBL2779430 0.79 PKM (0.46) PKMKMT2AMEN1TDP1TSHR
SCHEMBL28565287 0.78 KMT2A (0.48) PKMKMT2AMEN1TDP1MAPT
SCHEMBL7960171 0.77 NPSR1 (0.46) PKMKMT2AMEN1MAPTNPSR1
SCHEMBL28511312 0.76 SLC6A4 (0.41) KMT2ANPC1POLBRAB9ATP53
SCHEMBL6626017 0.75 MAPK1 (0.42) PKMKMT2AMEN1TDP1MAPT
SCHEMBL3052561 0.75 MAPK1 (0.58) PKMKMT2ATDP1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 CN disclosed
US-20180134726-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-17 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
EP-2854541-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2015-04-08 EP disclosed
WO-2013174846-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-28 WO disclosed
WO-2013174846-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-28 WO disclosed
US-8404728-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-03-26 US disclosed
US-20120114696-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS US ARMY, SECRETARY OF THE ARMY 2012-05-10 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
WO-2005014693-A1 METHOD OF CROSSLINKING INTRINSICALLY CONDUCTIVE POLYMERS OR INTRINSICALLY CONDUCTIVE POLYMER PRECURSORS AND THE ARTICLES OBTAINED THEREFROM UNIVERSITY OF CONNECTICUT (US) 2005-02-17 WO disclosed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US 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 (4 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-20180134726-A1 PLANT GROWTH REGULATING COMPOUNDS GHITM, GHDC, AREG PKM 2331/4885KMT2A 3559/4885MEN1 4061/4885
US-20120114696-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, BCHE, ACHE PKM 4012/4885KMT2A 1949/4885MEN1 2693/4885
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 PKM 3897/4885KMT2A 4730/4885MEN1 1799/4885
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT PKM 811/4885KMT2A 4602/4885MEN1 4184/4885

“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.