SCHEMBL891863

SCHEMBL891863

O=C(O)c1cc(C2CCCCC2)on1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.65
S1PR1 P21453 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMB5 P28074 1/20 0.50
KMO O15229 1/20 0.50
RAPGEF3 O95398 2/20 0.47
SMYD3 Q9H7B4 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL892137 0.98 S1PR3 (0.62) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL22554186 0.95 S1PR3 (0.62) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL841342 0.91 S1PR3 (0.57) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL27006412 0.84 S1PR3 (0.56) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL21317622 0.84 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL2799191 0.84 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL17619253 0.82 S1PR3 (0.60) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL21523760 0.81 S1PR3 (0.44) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL30518902 0.81 S1PR3 (0.56) S1PR3S1PR1NPC1RAB9APSMB8
SCHEMBL18810466 0.80 S1PR3 (0.58) S1PR3S1PR1NPC1RAB9APSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-11434212-B2 Bicyclic compound as a caspase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-09-06 US disclosed
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 EP disclosed
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-28 US disclosed
WO-2021073643-A1 DRUG FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS 正大天晴药业集团股份有限公司 2021-04-22 WO disclosed
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 US disclosed
US-4014876-A HYPOGLYCEMIC SHIONOGI & CO., LTD. (JA) 1977-03-29 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 (7 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC S1PR3 1776/4885S1PR1 1817/4885NPC1 725/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 S1PR3 2227/4885S1PR1 1357/4885NPC1 735/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN S1PR3 2093/4885S1PR1 2264/4885NPC1 704/4885
US-11434212-B2 Bicyclic compound as a caspase inhibitor CASP1, CASP14, CASP2 S1PR3 3879/4885S1PR1 3652/4885NPC1 1000/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A S1PR3 4301/4885S1PR1 4423/4885NPC1 2611/4885
US-20210332019-A1 Bicyclic Compound as a Caspase Inhibitor CASP1, CASP14, CASP2 S1PR3 3879/4885S1PR1 3652/4885NPC1 1000/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 S1PR3 3649/4885S1PR1 4148/4885NPC1 2242/4885

“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.