Sugi Predict

Sugi Predict / Compounds / SCHEMBL3714280

SCHEMBL3714280

SCHEMBL3714280

COc1ccc(CC(=O)Nc2c(C)csc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPK8 P45983 5/20 0.61
▸ MAPK9 P45984 4/20 0.61
▸ MAPK10 P53779 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ APP P05067 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NLRP3 Q96P20 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49

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
SCHEMBL3712355 0.76 MAPK8 (0.81) ALDH1A1MAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL3714662 0.75 MAPK8 (0.80) MAPK8MAPK9MAPK10HTT
SCHEMBL23295963 0.75 ALDH1A1 (0.52) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL5062039 0.74 ALDH1A1 (0.53) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL30034264 0.73 SMN1; SMN2 (0.88) POLBCYP2C19ALDH1A1SMN1; SMN2HTT
SCHEMBL9370863 0.72 ALDH1A1 (0.88) POLBCYP2C19ALDH1A1SMN1; SMN2HTT
SCHEMBL4958017 0.71 POLB (0.49) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL9995867 0.71 ALDH1A1 (0.79) POLBCYP2C19ALDH1A1SMN1; SMN2HTT
SCHEMBL21980985 0.71 HTT (0.86) POLBALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL5115433 0.71 CYP1A2 (0.53) CYP1A2POLBCYP3A4CYP2C19ALDH1A1

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 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 CYP1A2 3825/4885POLB 2705/4885CYP3A4 4456/4885

“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.