Sugi Predict

Sugi Predict / Compounds / SCHEMBL4015103

SCHEMBL4015103

SCHEMBL4015103

CCc1c(-c2cn(-c3cc(NC(=O)c4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)ccc3C)cn2)cnn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ PKM P14618 2/20 0.37
▸ BRAF P15056 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ EPHA3 P29320 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ SCARB1 Q8WTV0 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL4035041 0.89 BRAF (0.45) MAPK14BRAF
SCHEMBL4014620 0.85 NPC1 (0.46) MAPK14MAPTALDH1A1NPC1RAB9A
SCHEMBL4031354 0.83 MAPK14 (0.39) MAPK14BRAFABL1
SCHEMBL4034585 0.83 BRAF (0.43) MAPK14BRAF
SCHEMBL4020851 0.81 RAB9A (0.41) MAPK14NPC1RAB9APKMBRAF
SCHEMBL4015658 0.81 TEK (0.45) MAPK14ABL1
SCHEMBL4033513 0.80 BRAF (0.47) MAPK14BRAF
SCHEMBL13848693 0.80 MAPK14 (0.40) MAPK14ABL1
SCHEMBL4034420 0.78 MAPK14 (0.40) MAPK14MAPTABL1
SCHEMBL4031621 0.78 MAPK14 (0.38) MAPK14BRAFLYNMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 — — 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 (1 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-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B MAPK14 515/4885MAPT 2580/4885ALDH1A1 974/4885

“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.