SCHEMBL582652

SCHEMBL582652

O=c1cc([C@H]2CCN[C@@H](c3ccc(F)cc3)C2)o[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 14/20 0.65
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
MGLL Q99685 1/20 0.32
GSK3B P49841 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
GSK3A P49840 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL582072 1.00 PLG (0.65) PLGGABRA1GABRG2GABRB3MGLL
SCHEMBL582071 1.00 PLG (0.65) PLGGABRA1GABRG2GABRB3MGLL
SCHEMBL582073 1.00 PLG (0.65) PLGGABRA1GABRG2GABRB3MGLL
Acetic Acid SCHEMBL27852917 0.93 PLG (0.58) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27869781 0.93 PLG (0.58) PLGGABRA1GABRG2GABRB3
SCHEMBL581970 0.88 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL582077 0.88 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581971 0.88 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581969 0.88 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL582286 0.87 PLG (0.59) PLGGABRA1GABRG2GABRB3

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-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2018-11-29 US claimed
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2017-12-21 US claimed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US claimed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US claimed
US-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2018-11-29 US disclosed
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2017-12-21 US disclosed
EP-3233189-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS Emeriti Pharma AB (SE) 2017-10-25 EP disclosed
WO-2016099397-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2016-06-23 WO disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS DPM1, SUCLG1, POLR1C PLG 1684/4885GABRA1 765/4885GABRG2 752/4885
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS DPM1, SUCLG1, POLR1C PLG 1684/4885GABRA1 765/4885GABRG2 752/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 PLG 4861/4885GABRA1 237/4885GABRG2 435/4885

“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.