SCHEMBL16614192

SCHEMBL16614192

O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc2c(c1)SCCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.56
WNT3A P56704 4/20 0.56
KMO O15229 2/20 0.49
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STING1 Q86WV6 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DGAT1 O75907 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21231294 1.00 CTNNB1 (0.56) CTNNB1WNT3AKMOTSHRSMN1; SMN2
SCHEMBL20032579 0.88 CTNNB1 (0.52) CTNNB1WNT3AKMOTSHRSMN1; SMN2
SCHEMBL15319218 0.80 KMO (0.56) CTNNB1KMOTSHRSMN1; SMN2ALDH1A1
SCHEMBL23024775 0.80 CTNNB1 (0.68) CTNNB1WNT3ATSHRALDH1A1TDP1
SCHEMBL31396077 0.80 CTNNB1 (0.68) CTNNB1WNT3ATSHRALDH1A1TDP1
SCHEMBL15337102 0.77 KMO (0.52) CTNNB1WNT3AKMOTSHRNPC1
SCHEMBL16614190 0.75 CTNNB1 (0.55) CTNNB1WNT3AKMOALDH1A1NPC1
SCHEMBL21231721 0.75 ALDH1A1 (0.60) CTNNB1WNT3AKMOSMN1; SMN2ALDH1A1
SCHEMBL15337040 0.75 ALDH1A1 (0.60) CTNNB1WNT3AKMOSMN1; SMN2ALDH1A1
SCHEMBL21382764 0.72 CTNNB1 (0.58) CTNNB1WNT3ATSHRSMN1; SMN2ALDH1A1

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-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US claimed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
WO-2015047978-A1 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 (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-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT CTNNB1 4177/4885WNT3A 1977/4885KMO 1/4885
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT CTNNB1 4164/4885WNT3A 1966/4885KMO 1/4885

“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.