Sugi Predict

Sugi Predict / Compounds / SCHEMBL2950423

SCHEMBL2950423

SCHEMBL2950423

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc([S+](C)[O-])cc2)c1Nc1ccccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL1266311 0.90 MAPT (0.43) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2960720 0.88 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL4579752 0.88 LMNA (0.32) ALDH1A1GAALMNATP53
SCHEMBL3139324 0.87 FNTA (0.39) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2949273 0.86 MAPT (0.42) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2949594 0.84 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2958944 0.82 PRKCQ (0.36) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2953715 0.82 MAPT (0.40) ALDH1A1GAAMAPTFNTAFNTB
SCHEMBL2950090 0.81 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1MAPTFNTA
SCHEMBL2955002 0.79 FNTA (0.44) ALDH1A1GAAMAPTFNTAFNTB

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-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 — — US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 — — US claimed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 — — US disclosed
EP-1981950-B1 ELECTROLUMINESCENT HOST MATERIAL EASTMAN KODAK CO (US) 2010-01-27 — — EP disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 — — US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 — — US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 — — 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 (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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885GAA 4059/4885L3MBTL1 746/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885GAA 4234/4885L3MBTL1 684/4885

“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.