SCHEMBL2993344

SCHEMBL2993344

CC(C)(C)OC(=O)c1cc(CN)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SLC7A5 Q01650 1/20 0.42
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
CES2 O00748 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
IDO1 P14902 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RXRA P19793 2/20 0.36

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
SCHEMBL21711972 0.85 NOTUM (0.60) NOTUMSLC7A5PRKCAPRKCDCES2
SCHEMBL18224599 0.84 PPARD (0.46) SLC7A5CA12CA1CA2CA9
SCHEMBL2993338 0.83 NOTUM (0.44) NOTUMSLC7A5PRKCAPRKCDCES2
SCHEMBL9967387 0.82 NOTUM (0.47) NOTUMPRKCAPRKCDCA12CA1
SCHEMBL15875999 0.82 SLC7A5 (0.44) SLC7A5CES2CA12CA1CA2
SCHEMBL27925003 0.80 NOTUM (0.46) NOTUMSLC7A5PRKCAPRKCDCES2
SCHEMBL3008695 0.78 CES2 (0.48) NOTUMCES2CA12CA1CA2
SCHEMBL2993355 0.78 MRGPRX4 (0.51) CES2LOXL2MRGPRX4RXRABACE1
SCHEMBL3010098 0.77 NOTUM (0.71) NOTUMCES2CA12CA1CA2
SCHEMBL27118826 0.76 RXFP1 (0.46) BRAF

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-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885SLC7A5 715/4885PRKCA 319/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885SLC7A5 715/4885PRKCA 319/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885SLC7A5 715/4885PRKCA 319/4885

“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.