SCHEMBL6155955

SCHEMBL6155955

O=C1c2ccccc2C(=O)N1CC(O)CBr

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.56
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.54
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CASP3 P42574 1/20 0.43
GLS O94925 1/20 0.43
GSK3B P49841 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6155950 1.00 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL28884413 1.00 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL8939993 0.88 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL17595505 0.85 MAPK1 (0.59) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL30268729 0.83 MAPK1 (0.58) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL5798484 0.83 MAPK1 (0.58) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL5798482 0.83 MAPK1 (0.58) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL6153732 0.83 MAPK1 (0.58) ALDH1A1MAPTMAPK1KMT2ARAB9A
SCHEMBL31439891 0.82 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1RAB9ACA12
SCHEMBL15857710 0.81 MAPK1 (0.56) ALDH1A1MAPTMAPK1KMT2ARAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885325-B Preparation method of (S) -glycidol phthalimide 新发药业有限公司 2021-09-07 CN disclosed
CN-110885325-A Preparation method of (S) -glycidol phthalimide 新发药业有限公司 2020-03-17 CN disclosed
EP-2935277-B1 TRICYCLIC COMPOUNDS AS CFTR INHIBITORS NOVARTIS AG (CH) 2017-08-30 EP disclosed
US-9303035-B2 Substituted pyrazino[1′,2′:1,2]pyrrolo[3,4-d]pyrimidines, pyrimido[4′,5′:3,4]pyrrolo[2,1-c][1,4]oxazines and pyrimido[4′,5′:3,4]pyrrolo[1,2-d][1,4]oxazepines for inhibiting the CFTR channel NOVARTIS AG (CH) 2016-04-05 US disclosed
EP-2935277-A1 TRICYCLIC COMPOUNDS AS CFTR INHIBITORS Novartis AG (CH) 2015-10-28 EP disclosed
WO-2014097147-A1 TRICYCLIC COMPOUNDS AS CFTR INHIBITORS NOVARTIS AG (CH) 2014-06-26 WO disclosed
US-20140171412-A1 TRICYCLIC COMPOUNDS NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates KANEKA CORPORATION (JP) 2005-09-29 US disclosed
EP-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 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 (2 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-20140171412-A1 TRICYCLIC COMPOUNDS SLC10A1, CYP11B2, CYP11B1 ALDH1A1 714/4885MAPT 1843/4885MAPK1 1855/4885
US-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates OXER1, RCC2, CBR3 ALDH1A1 538/4885MAPT 4259/4885MAPK1 925/4885

“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.