SCHEMBL3243357

SCHEMBL3243357

[CH2]CCS(=O)(=O)C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.50
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
HTR1A P08908 2/20 0.38
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
SRD5A1 P18405 2/20 0.37
RET P07949 1/20 0.36
HTR2A P28223 1/20 0.36
CYP11B2 P19099 1/20 0.36
BCHE P06276 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL13896249 0.75 HTR6 (0.51) HTR6CA1CA2MAOAMAOB
SCHEMBL13896218 0.75 HTR6 (0.48) HTR6CA1CA2MAOAMAOB
SCHEMBL2319101 0.74 HTR6 (0.57) HTR6CA1CA2MAOAMAOB
SCHEMBL16242806 0.74 HTR6 (0.57) HTR6CA1CA2MAOAMAOB
SCHEMBL731798 0.74 HTR6 (0.61) HTR6CA1CA2MAOAMAOB
SCHEMBL2026702 0.74 HTR6 (0.57) HTR6CA1CA2MAOAMAOB
SCHEMBL29207366 0.73 HTR6 (0.55) HTR6CA1CA2MAOAMAOB
Hydrochloric Acid SCHEMBL27814998 0.73 HTR6 (0.59) HTR6CA1CA2MAOAMAOB
SCHEMBL11784556 0.71 HTR6 (0.77) HTR6CA1CA2MAOAMAOB
SCHEMBL23832880 0.70 HTR6 (0.53) HTR6CA1CA2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2015-11-26 US disclosed
US-9029397-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-12 US disclosed
US-8921399-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-12-30 US disclosed
US-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2013-02-28 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
EP-2182809-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Helicon Therapeutics, Inc. (US) 2010-05-12 EP disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 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 (6 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-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885
US-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HTR6 317/4885CA1 586/4885CA2 1979/4885

“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.