SCHEMBL6744769

SCHEMBL6744769

CC(C)(C)COCc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
TACR1 P25103 2/20 0.39
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MAOB P27338 1/20 0.32
ACHE P22303 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31
AGXT P21549 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21291354 0.81 IDO1 (0.55) IDO1MAOBAGXT
SCHEMBL10202633 0.79 IDO1 (0.48) IDO1MAOBAGXTALDH1A1
SCHEMBL26202098 0.77 TACR1 (0.43) TACR1
SCHEMBL15573480 0.76 IDO1 (0.54) IDO1TACR1CA12CA1CA9
SCHEMBL12666597 0.74 IDO1 (0.52) IDO1CA12CA1CA9MAOB
SCHEMBL13349758 0.72 IDO1 (0.50) IDO1TACR1CA12CA1CA9
SCHEMBL4731225 0.72 TACR1 (0.34) TACR1
SCHEMBL3149166 0.71 IDO1 (0.54) IDO1TACR1CA12CA1CA9
SCHEMBL28297736 0.71 IDO1 (0.54) IDO1TACR1CA12CA1CA9
SCHEMBL10362042 0.71 CYP1A2 (0.39) TACR1MAOBALDH1A1

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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (3 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 IDO1 2639/4885TACR1 2837/4885CA12 4258/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 IDO1 439/4885TACR1 364/4885CA12 3171/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 IDO1 2535/4885TACR1 2668/4885CA12 4234/4885

“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.