SCHEMBL16615455

SCHEMBL16615455

O=C(O)[C@H]1C[C@@H]1C(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
DAO P14920 1/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.44
KMO O15229 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 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
SCHEMBL3866711 0.83 GAA (0.54) GAADAOCES2CES1HPGDS
SCHEMBL6201220 0.83 GAA (0.54) GAADAOCES2CES1HPGDS
SCHEMBL6201226 0.83 GAA (0.54) GAADAOCES2CES1HPGDS
SCHEMBL3858877 0.83 GAA (0.54) GAADAOCES2CES1HPGDS
SCHEMBL621714 0.73 ALDH1A1 (0.58) GAADAOCES2CES1HPGDS
SCHEMBL6992713 0.71 CES2 (0.48) GAADAOCES2CES1HPGDS
SCHEMBL6201485 0.71 GAA (0.52) GAADAOCES2CES1ALDH1A1
SCHEMBL6201483 0.71 GAA (0.52) GAADAOCES2CES1ALDH1A1
SCHEMBL6201474 0.71 GAA (0.52) GAADAOCES2CES1ALDH1A1
SCHEMBL11374054 0.71 KMO (0.58) DAOCES2CES1ALDH1A1KMO

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
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-01 US disclosed
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-01 US disclosed
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-02 US disclosed
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-02 US disclosed
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-02 US disclosed
US-9884853-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-9884853-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-9884853-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-08 US disclosed
US-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-08 US disclosed
US-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-08 US disclosed
WO-2015047982-A2 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2015-04-02 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 (3 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-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GAA 429/4885DAO 5/4885CES2 1259/4885
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GAA 429/4885DAO 5/4885CES2 1259/4885
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof KMO, KYNU, AADAT GAA 429/4885DAO 5/4885CES2 1259/4885

“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.