SCHEMBL1179647

SCHEMBL1179647

COc1cccc(-c2cc(C(=O)O)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ HPGD P15428 6/20 1.00
▸ MAPT P10636 6/20 0.71
▸ RECQL P46063 1/20 0.71
▸ PTPN1 P18031 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ TP53 P04637 7/20 0.66
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ NPC1 O15118 8/20 0.65
▸ RAB9A P51151 8/20 0.65
▸ TSHR P16473 4/20 0.65
▸ NFKB1 P19838 2/20 0.65
▸ NFKB2 Q00653 2/20 0.65
▸ RELA Q04206 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ HSD17B10 Q99714 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL11100104 0.87 ALDH1A1 (0.77) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL4791629 0.85 ALDH1A1 (0.73) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL892240 0.83 HPGD (1.00) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL5620215 0.82 PTPN1 (1.00) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL12171974 0.82 ALDH1A1 (0.70) ALDH1A1HPGDMAPTPTPN1KDM4E
SCHEMBL11902016 0.82 ALDH1A1 (0.69) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL30518895 0.81 ALDH1A1 (0.69) ALDH1A1HPGDMAPTRECQLKDM4E
SCHEMBL17117207 0.80 TP53 (1.00) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL1178549 0.80 PTPN1 (0.76) ALDH1A1HPGDMAPTRECQLPTPN1
SCHEMBL8380033 0.80 ALDH1A1 (0.67) ALDH1A1HPGDMAPTKDM4EMAPK1

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 41 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
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
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-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-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 — — US disclosed
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 — — US disclosed
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS 2018-10-04 — — US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — 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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 — — US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 — — WO disclosed
US-4465631-A ANTIBIOTICS AJINOMOTO COMPANY, INCORPORATED (JP) 1984-08-14 — — US disclosed
EP-0098032-A2 Beta-lactam derivatives and their pharmaceutical preparations AJINOMOTO CO., INC. (JP) 1984-01-11 — — EP 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 ALDH1A1 493/4885HPGD 4358/4885MAPT 2473/4885
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885HPGD 651/4885MAPT 260/4885
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS ALDH1A1 957/4885HPGD 362/4885MAPT 4662/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885HPGD 651/4885MAPT 260/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 ALDH1A1 2324/4885HPGD 4806/4885MAPT 3306/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885HPGD 651/4885MAPT 260/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885HPGD 732/4885MAPT 2497/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885HPGD 651/4885MAPT 260/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885HPGD 1657/4885MAPT 4759/4885

“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.

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