SCHEMBL1600541

SCHEMBL1600541

COc1c(NC(=O)C(=O)c2ccc(-c3ccc(NC4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 10/20 0.60
MAPK14 Q16539 8/20 0.60
LYN P07948 2/20 0.57
MAPK9 P45984 2/20 0.57
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
RAF1 P04049 1/20 0.57
BRAF P15056 1/20 0.57
EPHA2 P29317 1/20 0.57
EPHA3 P29320 1/20 0.57
AKT1 P31749 1/20 0.57

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
SCHEMBL4418756 0.88 MAPK14 (0.67) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL1599856 0.85 MAPK14 (0.58) SCARB1MAPK14
SCHEMBL1599403 0.85 MAPK14 (0.67) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL4416952 0.84 MAPK14 (0.65) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL1599599 0.83 ABL1 (0.81) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL4413512 0.82 SCARB1 (0.68) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL4416207 0.82 MAPK14 (0.63) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL1600447 0.80 MAPK14 (0.73) SCARB1MAPK14LYNMAPK9ABL1
SCHEMBL4420018 0.80 MAPK14 (0.60) SCARB1MAPK14
SCHEMBL1600035 0.76 SCARB1 (0.74) SCARB1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A SCARB1 425/4885MAPK14 371/4885LYN 2904/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SCARB1 425/4885MAPK14 371/4885LYN 2904/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B SCARB1 2585/4885MAPK14 696/4885LYN 3196/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A SCARB1 425/4885MAPK14 371/4885LYN 2904/4885

“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.