SCHEMBL1600161

SCHEMBL1600161

CC(C)(C)OC(=O)Nc1cccc2cc(OCCN3CCOCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
EPHX2 P34913 4/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK14 Q16539 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDR P35968 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL12705356 0.81 MAPK14 (0.52) EPHX2MAPK14KDRCD274
SCHEMBL5564800 0.81 HDAC1 (0.47) BRD4EPHX2PDGFRBPDGFRAMAPK14
SCHEMBL1801810 0.80 CD274 (0.62) EPHX2KDM4EMAPK14SMN1; SMN2GAA
SCHEMBL14224679 0.79 KDM4E (0.60) BRD4EPHX2KDM4ESMN1; SMN2GAA
SCHEMBL14530098 0.79 MAPK14 (0.49) MAPK14CD274
SCHEMBL5257397 0.79 MAPK14 (0.65) PDGFRBPDGFRAMAPK14KDR
SCHEMBL6814510 0.77 KDR (0.62) EPHX2TSHRSMN1; SMN2ALDH1A1KDR
SCHEMBL4256695 0.77 EPHX2 (0.74) EPHX2
SCHEMBL5559654 0.76 RXFP1 (0.54) KDM4EMAPK14ALDH1A1CD274NPC1
SCHEMBL28653998 0.76 HDAC1 (0.48) BRD4EPHX2KDM4ETP53TSHR

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 8 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-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
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 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 (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 BRD4 1228/4885EPHX2 827/4885PDGFRB 257/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A BRD4 1228/4885EPHX2 827/4885PDGFRB 257/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B BRD4 439/4885EPHX2 504/4885PDGFRB 1136/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A BRD4 1228/4885EPHX2 827/4885PDGFRB 257/4885

“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.