Sugi Predict

Sugi Predict / Compounds / SCHEMBL3711932

SCHEMBL3711932

SCHEMBL3711932

CC(C)(C)OC(=O)Cc1cncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ SSTR4 P31391 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1D1 P20393 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPK9 P45984 1/20 0.37

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
SCHEMBL2842396 0.86 CYP11B2 (0.42) CYP11B2CYP11B1SSTR4SLC22A12ALDH1A1
SCHEMBL17687045 0.83 ROS1 (0.50) SIRT5SLC22A12ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2914936 0.82 SIRT5 (0.59) SIRT5L3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL3711732 0.77 TDP1 (0.62) CYP11B2TDP1CYP11B1SLC22A12ALDH1A1
SCHEMBL30431204 0.77 TDP1 (0.62) CYP11B2TDP1CYP11B1SLC22A12ALDH1A1
SCHEMBL10510328 0.77 CYP11B2 (0.42) CYP11B2MTNR1ACYP11B1SSTR4SLC22A12
SCHEMBL9863289 0.76 MTNR1A (0.52) SIRT5MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL21591505 0.76 NQO2 (0.48) TDP1KMT2AMEN1NPC1GAA
SCHEMBL1483541 0.75 CYP11B1 (0.46) CYP11B2MTNR1AL3MBTL1TDP1CYP11B1
Hydrochloric Acid SCHEMBL4810594 0.75 TDP1 (0.61) CYP11B2TDP1CYP11B1SLC22A12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 — — US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 — — US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 — — US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 — — US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 — — US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 — — US disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 — — EP disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 — — US disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 — — US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 — — US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 — — US disclosed
EP-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 — — EP disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 — — US disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (10 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 CYP11B2 2941/4885SIRT5 1762/4885MTNR1A 2815/4885

“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.