SCHEMBL8068964

SCHEMBL8068964

COC(=O)CC(C)(C)NC(=S)NC(C)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL8060719 0.84 KMT2A (0.60) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL8044111 0.84 KMT2A (0.60) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL27795750 0.84 KMT2A (0.60) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL12920962 0.81 KMT2A (0.57) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL12946361 0.80 KMT2A (0.57) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL8045931 0.73 KMT2A (0.60) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL12920954 0.72 KMT2A (0.70) HTTKMT2AMEN1ATMALDH1A1
SCHEMBL19658757 0.72 HTT (0.71) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14535437 0.72 HTT (0.71) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4862572 0.70 HTT (0.69) HTTKMT2AMEN1ALDH1A1KDM4E

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-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 US disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 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-20110009392-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTT 502/4885KMT2A 3290/4885MEN1 2674/4885

“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.