SCHEMBL1600933

SCHEMBL1600933

CC(C)(C)OC(=O)Nc1ccc2c(O)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
KAT6A Q92794 1/20 0.47
PYGL P06737 1/20 0.46
CYP17A1 P05093 2/20 0.45
SYK P43405 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRM4 Q14833 1/20 0.43
NQO2 P16083 1/20 0.43
JAK2 O60674 1/20 0.41
NAMPT P43490 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL9290256 0.86 CA12 (0.56) CA12CA1CA9KAT6ACYP17A1
SCHEMBL14503717 0.85 CA12 (0.49) CA12CA1CA9KAT6ACYP17A1
SCHEMBL30070953 0.85 CA12 (0.49) CA12CA1CA9KAT6ACYP17A1
SCHEMBL22804504 0.85 CA12 (0.49) CA12CA1CA9KAT6ACYP17A1
SCHEMBL29505060 0.84 TOP2A (0.47) CA12CA1CA9KAT6ACYP17A1
SCHEMBL7132663 0.84 TOP2A (0.47) CA12CA1CA9KAT6ACYP17A1
SCHEMBL29953227 0.83 CA12 (0.50) CA12CA1CA9KAT6ACYP17A1
SCHEMBL20067498 0.82 CA12 (0.46) CA12CA1CA9KAT6ACYP17A1
SCHEMBL14503720 0.82 TTK (0.48) CA12CA1CA9KAT6ACYP17A1
SCHEMBL3403454 0.81 KAT6A (0.60) CA12CA1CA9KAT6ANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
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-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-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-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-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
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-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 HSD17B1 1740/4885HSD17B2 2175/4885CA12 2885/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A HSD17B1 1740/4885HSD17B2 2175/4885CA12 2885/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B HSD17B1 626/4885HSD17B2 881/4885CA12 1247/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A HSD17B1 1740/4885HSD17B2 2175/4885CA12 2885/4885

“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.