SCHEMBL1179640

SCHEMBL1179640

O=C(O)c1cc(-c2ccsc2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
PTPN1 P18031 3/20 0.60
HPGD P15428 4/20 0.54
MAPT P10636 2/20 0.54
RECQL P46063 1/20 0.54
CDH1 P12830 1/20 0.50
CTNNB1 P35222 1/20 0.50
TCF7L2 Q9NQB0 1/20 0.50
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
RXRA P19793 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
HDAC3 O15379 1/20 0.43

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
SCHEMBL17788517 0.85 ALDH1A1 (0.45) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1544488 0.81 MAPT (0.62) ALDH1A1HPGDMAPTRECQLNPC1
SCHEMBL4406520 0.79 ALDH1A1 (0.73) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL71299 0.78 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL28030178 0.77 CHEK2 (0.52) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9911636 0.76 MLLT1 (0.63) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL72786 0.75 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL21044250 0.75 ACMSD (0.51) ACMSDLCKFYNDAO
SCHEMBL5620215 0.75 PTPN1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1178695 0.74 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL

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-104785176-A Organic reactive small-molecule gel and application thereof UNIV ZHENGZHOU LIGHT IND 2015-07-22 CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
CN-101778845-A Pharmaceutical composition comprising isoxazole derivatives for the prevention and treatment of restenosis SK HOLDINGS CO LTD 2010-07-14 CN 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
CN-103649066-B 5-carbamyl-diamantane (obsolete)-2-yl amide derivatives, its pharmaceutically acceptable salt and preparation method thereof 爱思开生物制药株式会社 2016-08-17 CN disclosed
EP-2699560-B1 5-CARBAMOYL-ADAMANTAN-2-YL AMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND PREPARATION PROCESS THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2016-04-20 EP disclosed
US-9233957-B2 5-carbamoyl-adamantan-2-yl amide derivatives, pharmaceutically acceptable salts thereof and preparation process thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-01-12 US disclosed
CN-104785176-A Organic reactive small-molecule gel and application thereof UNIV ZHENGZHOU LIGHT IND 2015-07-22 CN disclosed
CN-101778845-B Pharmaceutical composition comprising isoxazole derivative for preventing and treating restenosis SK HOLDINGS CO LTD 2014-06-25 CN disclosed
US-20140128427-A1 5-CARBAMOYL-ADAMANTAN-2-YL AMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND PREPARATION PROCESS THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-08 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 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-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 ALDH1A1 2602/4885PTPN1 2034/4885HPGD 1032/4885
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS ALDH1A1 957/4885PTPN1 599/4885HPGD 362/4885
US-20140128427-A1 5-CARBAMOYL-ADAMANTAN-2-YL AMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND PREPARATION PROCESS THEREOF HSD3B1, HSD11B1, HSD3B2 ALDH1A1 58/4885PTPN1 2462/4885HPGD 123/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885PTPN1 2026/4885HPGD 732/4885

“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.