SCHEMBL57241

SCHEMBL57241

CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.50
MMP9 P14780 5/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 4/20 0.48
NAMPT P43490 1/20 0.46
P2RX7 Q99572 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MAPK1 P28482 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
SCHEMBL55573 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL25730272 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29922190 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29502115 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL57180 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL5432481 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL56008 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29381250 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL22787577 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL9680488 0.88 EPHX2 (0.47) MEN1ALDH1A1KMT2AEPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
US-20220000890-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2022-01-06 US disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
US-20060264494-A1 Heterocyclic amide derivatives which process glycogen phorylase inhibitory activity ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1483271-B1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-11-22 EP disclosed
US-7122567-B2 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 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 (8 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-20060264494-A1 Heterocyclic amide derivatives which process glycogen phorylase inhibitory activity PYGL, PYGM, G6PC1 MEN1 2960/4885ALDH1A1 2365/4885KMT2A 2884/4885
US-20220000890-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK MEN1 1124/4885ALDH1A1 3920/4885KMT2A 686/4885
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 MEN1 2221/4885ALDH1A1 1903/4885KMT2A 805/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MEN1 2336/4885ALDH1A1 38/4885KMT2A 3129/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 MEN1 3268/4885ALDH1A1 2399/4885KMT2A 1266/4885
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity PYGL, GYS1, CBR3 MEN1 4039/4885ALDH1A1 3143/4885KMT2A 4046/4885
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A MEN1 3606/4885ALDH1A1 4753/4885KMT2A 4444/4885
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 MEN1 404/4885ALDH1A1 4656/4885KMT2A 1602/4885

“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.