SCHEMBL14758481

SCHEMBL14758481

COC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
LPL P06858 13/20 0.38
LIPG Q9Y5X9 13/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SNCA P37840 1/20 0.36
CSF1R P07333 1/20 0.34
EGFR P00533 2/20 0.34
ESR2 Q92731 1/20 0.33

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
SCHEMBL4578027 0.86 AAK1 (0.39) AAK1LPLLIPGCA1CA2
SCHEMBL2497084 0.82 AAK1 (0.41) AAK1LPLLIPGCA1CA2
SCHEMBL9910113 0.82 PDE2A (0.44) AAK1LPLLIPGCA1CA2
SCHEMBL2699826 0.82 PDE2A (0.44) AAK1LPLLIPGCA1CA2
SCHEMBL3025664 0.82 LMNA (0.50) AAK1LPLLIPGCA1CA2
SCHEMBL2411421 0.80 LPL (0.44) AAK1LPLLIPGCA1CA2
SCHEMBL1678963 0.77 AAK1 (0.43) AAK1LPLLIPGCA1CA2
SCHEMBL16317403 0.77 AAK1 (0.39) AAK1LPLLIPGCA1CA2
SCHEMBL419648 0.76 LPL (0.48) AAK1LPLLIPGCA1CA2
SCHEMBL13896741 0.75 AAK1 (0.38) AAK1LPLLIPGCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
EP-3169684-B1 COMBINATION OF KMO INHIBITOR 6-(3-CHLORO-4-CYCLOPROPOXYPHENYL)PYRIMIDINE-4-CARBOXYLIC ACID WITH ANTIVIRAL AGENT FOR TREATING HIV RELATED NEUROLOGICAL DISORDERS CHDI FOUNDATION INC (US) 2019-06-26 EP disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
EP-3243515-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-11-15 EP disclosed
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. 2017-07-27 US disclosed
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. 2017-07-27 US disclosed
EP-2750677-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2017-03-22 EP disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
WO-2016011316-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. (US) 2016-01-21 WO disclosed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 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 (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-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO AAK1 1307/4885LPL 1239/4885LIPG 1707/4885
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS KMO, KYNU, PNPO AAK1 412/4885LPL 2726/4885LIPG 2302/4885

“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.