SCHEMBL16160941

SCHEMBL16160941

CC(C)(C)OC(=O)N1C(C[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)c2cncs2)COC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
AR P10275 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL5756948 0.91 AR (0.33) AR
SCHEMBL16160949 0.84 BRD4 (0.35) EGFRSPHK1
SCHEMBL16160933 0.83 EGFR (0.35) EGFRSPHK1
SCHEMBL16160962 0.82 EGFR (0.36) EGFRSPHK1
SCHEMBL6748055 0.79 CYP2D6 (0.39) SPHK1
SCHEMBL6748053 0.79 CYP2D6 (0.39) SPHK1
SCHEMBL16160961 0.78 GPR119 (0.33)
SCHEMBL16160928 0.77 EGFR (0.34) EGFRARSPHK1
SCHEMBL16160965 0.76 BRD4 (0.34) SPHK1
SCHEMBL16160948 0.76 SPHK1 (0.38) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 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 (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-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO EGFR 1409/4885AR 4016/4885SPHK1 3460/4885

“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.