SCHEMBL16506296

SCHEMBL16506296

O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(SC2CC2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.65
GRIK1 P39086 4/20 0.36
GRIA2 P42262 4/20 0.36
LTC4S Q16873 5/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
DGAT1 O75907 1/20 0.32
HPGD P15428 1/20 0.32
NFE2L2 Q16236 1/20 0.32
STING1 Q86WV6 1/20 0.31

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
SCHEMBL30717807 1.00 KMO (0.65) KMOGRIK1GRIA2LTC4SCA12
SCHEMBL19618038 0.88 KMO (0.49) KMOGRIK1GRIA2CA12CA1
SCHEMBL15337002 0.79 KMO (1.00) KMOLTC4STSHRHPGDNFE2L2
SCHEMBL21974233 0.79 KMO (1.00) KMOLTC4STSHRHPGDNFE2L2
SCHEMBL31060580 0.79 KMO (1.00) KMOLTC4STSHRHPGDNFE2L2
SCHEMBL5310798 0.79 KMO (1.00) KMOLTC4STSHRHPGDNFE2L2
SCHEMBL4753610 0.79 KMO (1.00) KMOLTC4STSHRHPGDNFE2L2
SCHEMBL2654895 0.79 TSHR (0.37) KMOGRIK1GRIA2CA12CA1
SCHEMBL15337009 0.76 KMO (0.70) KMOLTC4SCYP2C19TSHRDGAT1
SCHEMBL18519757 0.76 KMO (0.70) KMOLTC4SCYP2C19TSHRDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130583-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-01-03 EP disclosed
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-15 US disclosed
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-15 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-9822058-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-11-21 US disclosed
US-9822058-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-11-21 US disclosed
US-9822058-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-11-21 US disclosed
EP-3130583-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-02-15 EP disclosed
EP-3130583-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-02-15 EP disclosed
US-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-02-26 US disclosed
US-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-02-26 US disclosed
US-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-02-26 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 (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-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT KMO 1/4885GRIK1 31/4885GRIA2 750/4885
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof KMO, KYNU, AADAT KMO 1/4885GRIK1 31/4885GRIA2 750/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT KMO 1/4885GRIK1 31/4885GRIA2 750/4885

“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.