SCHEMBL15619393

SCHEMBL15619393

CCOC(=O)CC(=O)NNc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.54
▸ GAA P10253 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL10631419 0.84 TSHR (0.68) ALDH1A1SMN1; SMN2KDM4ETSHRMAPT
SCHEMBL13977766 0.83 GAA (0.68) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2236676 0.83 GAA (0.68) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5446847 0.82 TSHR (0.73) GAAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL5724515 0.82 TSHR (0.56) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5446840 0.81 PTGS2 (0.59) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL14518056 0.79 L3MBTL1 (0.63) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9192465 0.78 PTGS2 (0.55) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2831390 0.77 PTGS2 (0.67) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL28784413 0.76 ALDH1A1 (0.59) GAAALDH1A1SMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873674-B2 C-Rel inhibitors and uses thereof CORNELL UNIVERSITY (US) 2018-01-23 — — US disclosed
US-20150218109-A1 C-REL INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 — — US disclosed
WO-2014047232-A2 C-REL INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2014-03-27 — — 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 (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-20150218109-A1 C-REL INHIBITORS AND USES THEREOF REL, NCOR1, CXCR4 PTGS2 2958/4885GAA 4206/4885ALDH1A1 3681/4885

“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.

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