Sugi Predict

Sugi Predict / Compounds / SCHEMBL587211

SCHEMBL587211

SCHEMBL587211

CC1(C)OB(c2cc(F)c(C(F)(F)F)c(F)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.44
▸ LIPG Q9Y5X9 13/20 0.44
▸ F11 P03951 3/20 0.36
▸ F2 P00734 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ FFAR1 O14842 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL587344 0.92 LPL (0.39) LPLLIPGF11F2PRSS1
SCHEMBL28906593 0.89 LPL (0.39) LPLLIPGF11F2PRSS1
SCHEMBL2393633 0.87 LPL (0.36) LPLLIPGF11F2PRSS1
SCHEMBL6691092 0.80 LPL (0.50) LPLLIPGF11ROCK1CA1
SCHEMBL14955808 0.80 LPL (0.40) LPLLIPGF11F2PRSS1
SCHEMBL26153570 0.79 LPL (0.48) LPLLIPGF11ROCK1CA1
SCHEMBL31256428 0.78 LPL (0.36) LPLLIPGF11F2PRSS1
SCHEMBL2486780 0.78 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL321493 0.77 LPL (0.49) LPLLIPGF11F2PRSS1
SCHEMBL23625380 0.77 LPL (0.41) LPLLIPGF11F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492344-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2022-11-08 — — US disclosed
US-20190194171-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 — — US 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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 — — US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — 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-11492344-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OCIAD2, OR51E2 LPL 4440/4885LIPG 2544/4885F11 855/4885
US-20190194171-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OCIAD2, OR51E2 LPL 4440/4885LIPG 2544/4885F11 855/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 LPL 4511/4885LIPG 4757/4885F11 2572/4885

“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.