SCHEMBL17844481

SCHEMBL17844481

COC(=O)CCC(=O)c1cc(Cl)c(OC)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
HTR4 Q13639 5/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL17844582 0.88 HMGCR (0.54) STING1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11836438 0.86 STING1 (0.57) STING1ALDH1A1HTR4ACHE
SCHEMBL19680058 0.82 ACHE (0.42) STING1ALDH1A1GAAMAPTLMNA
SCHEMBL8895935 0.80 HMGCR (0.54) ALDH1A1GAAHTR4LMNASMN1; SMN2
SCHEMBL8575158 0.80 HTR4 (0.51) ALDH1A1GAAHTR4LMNAACHE
SCHEMBL11841115 0.79 STING1 (0.57) STING1HTR4ACHESMN1; SMN2
SCHEMBL23173889 0.79 ALDH1A1 (0.45) ALDH1A1GAAMAPTHTR4LMNA
SCHEMBL20507907 0.79 HPGDS (0.47) ALDH1A1GAAMAPTHTR4LMNA
SCHEMBL23173670 0.79 ALDH1A1 (0.45) ALDH1A1GAAMAPTHTR4LMNA
SCHEMBL8900419 0.76 GAA (0.72) ALDH1A1GAAMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108594-B Compounds useful as kynurenine monooxygenase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-06-09 CN disclosed
EP-3233844-B1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-05-15 EP disclosed
EP-3233844-B1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-05-15 EP disclosed
US-10273232-B2 3-(6-alkoxy-5-chlorobenzo[D]isoxazol-3-YL)propanoic acid useful as kynurenine monooxygenase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-30 US disclosed
US-10273232-B2 3-(6-alkoxy-5-chlorobenzo[D]isoxazol-3-YL)propanoic acid useful as kynurenine monooxygenase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-30 US disclosed
US-20180170921-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 US disclosed
US-20180170921-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 US disclosed
US-20180170921-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS DR. FALK PHARMA GMBH (DE) 2018-06-21 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-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
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
EP-3233844-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-10-25 EP disclosed
WO-2016097144-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-06-23 WO disclosed
WO-2016097144-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-06-23 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-20180170921-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS KMO, KYNU, ALOX15 STING1 1654/4885ALDH1A1 2235/4885GAA 1125/4885
US-10273232-B2 3-(6-alkoxy-5-chlorobenzo[D]isoxazol-3-YL)propanoic acid useful as kynurenine monooxygenase inhibitors KMO, KYNU, ALOX15 STING1 1654/4885ALDH1A1 2235/4885GAA 1125/4885
US-20170349577-A1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS KMO, KYNU, ALOX15 STING1 1414/4885ALDH1A1 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.