SCHEMBL19680058

SCHEMBL19680058

COC(=O)CC/C(=N\O)c1cc(Cl)c(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
STING1 Q86WV6 1/20 0.37

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
SCHEMBL17844591 0.89 HMGCR (0.41) ALDH1A1MAPTLMNAKDM4ECYP1A2
SCHEMBL17844590 0.89 HMGCR (0.41) ALDH1A1MAPTLMNAKDM4ECYP1A2
SCHEMBL17844481 0.82 STING1 (0.46) ACHEALDH1A1GAAMAPTLMNA
SCHEMBL17844582 0.74 HMGCR (0.54) ALDH1A1MAPTLMNAKDM4ECYP1A2
SCHEMBL8900419 0.72 GAA (0.72) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL2438088 0.71 POLB (0.50) GAAMAPTHPGDL3MBTL1
SCHEMBL2438089 0.71 POLB (0.50) GAAMAPTHPGDL3MBTL1
SCHEMBL3963618 0.71 CTSD (0.53) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL3617721 0.70 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4ECYP3A4
SCHEMBL7797927 0.70 GAA (0.50) ALDH1A1GAAMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932328-B2 3-(6-alkoxy-5-chlorobenzo[d]isoxazol-3-yl)propanoic acid useful as kynurenine monooxygenase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-03 US disclosed
US-9932328-B2 3-(6-alkoxy-5-chlorobenzo[d]isoxazol-3-yl)propanoic acid useful as kynurenine monooxygenase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-03 US disclosed
US-20170349577-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-07 US disclosed
US-20170349577-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-07 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 (1 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-20170349577-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS KMO, KYNU, ALOX15 ACHE 775/4885ALDH1A1 2837/4885GAA 2231/4885

“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.