SCHEMBL72387

SCHEMBL72387

O=C(O)c1cc(-c2cccc(O)c2)on1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.78
ALDH1A1 P00352 6/20 0.72
HPGD P15428 2/20 0.64
MLLT1 Q03111 5/20 0.63
NPC1 O15118 4/20 0.63
TP53 P04637 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 3/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MLLT3 P42568 1/20 0.59
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL5620215 0.88 PTPN1 (1.00) PTPN1ALDH1A1HPGDMLLT1NPC1
SCHEMBL71299 0.84 ALDH1A1 (1.00) PTPN1ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL1178549 0.82 PTPN1 (0.76) PTPN1ALDH1A1HPGDNPC1TP53
SCHEMBL2486578 0.82 PTPN1 (0.76) PTPN1ALDH1A1HPGDNPC1TP53
SCHEMBL1178606 0.82 PTPN1 (0.76) PTPN1ALDH1A1HPGDMLLT1NPC1
SCHEMBL70042 0.82 PTPN1 (0.76) PTPN1ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL72786 0.81 ALDH1A1 (1.00) PTPN1ALDH1A1HPGDMLLT1NPC1
SCHEMBL1179647 0.78 ALDH1A1 (1.00) PTPN1ALDH1A1HPGDNPC1TP53
SCHEMBL4398693 0.78 PTPN1 (0.69) PTPN1ALDH1A1HPGDNPC1TP53
SCHEMBL5483599 0.78 PTPN1 (0.69) PTPN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIV KANSAS (US) 2022-12-15 US disclosed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4580/4885ALDH1A1 969/4885HPGD 503/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC PTPN1 4811/4885ALDH1A1 934/4885HPGD 632/4885
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 PTPN1 3314/4885ALDH1A1 493/4885HPGD 4358/4885
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 PTPN1 3738/4885ALDH1A1 3811/4885HPGD 651/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 PTPN1 3738/4885ALDH1A1 3811/4885HPGD 651/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4658/4885ALDH1A1 784/4885HPGD 482/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 PTPN1 3176/4885ALDH1A1 2324/4885HPGD 4806/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4580/4885ALDH1A1 969/4885HPGD 503/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 PTPN1 2026/4885ALDH1A1 706/4885HPGD 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.