SCHEMBL13833817

SCHEMBL13833817

C=Cc1ccc(C(C)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ UGT2B7 P16662 1/20 0.34
▸ OGA O60502 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30

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
SCHEMBL22296706 0.78 BTK (0.34) BTKKDM4EL3MBTL1
SCHEMBL14723341 0.78 BTK (0.35) BTK
SCHEMBL9905543 0.75 UGT2B7 (0.47) BTKUGT2B7PTGS2PLGPLAU
SCHEMBL9905545 0.75 UGT2B7 (0.47) BTKUGT2B7PTGS2PLGPLAU
SCHEMBL28209215 0.75 UGT2B7 (0.36) UGT2B7OGAALDH1A1PTGS2NOS3
SCHEMBL29790356 0.75 CYP2A6 (0.38) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL115262 0.75 CYP2A6 (0.38) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL22811499 0.74 BTK (0.33) BTK
SCHEMBL31201731 0.72 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL17154813 0.72 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 — — US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 — — US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 — — US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 — — US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 — — 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 (2 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 BTK 2758/4885UGT2B7 9/4885OGA 3002/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 BTK 2758/4885UGT2B7 9/4885OGA 3002/4885

“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.

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