SCHEMBL9970532

SCHEMBL9970532

CC(C)[C@@H](CCO)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
CTSK P43235 5/20 0.52
CTRB1 P17538 2/20 0.51
PRTN3 P24158 2/20 0.51
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50

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
SCHEMBL13489693 0.89 CTSK (0.58) ATMELANETRPM8CTSKCTRB1
SCHEMBL25949256 0.89 CTSK (0.58) ATMELANETRPM8CTSKCTRB1
SCHEMBL2723524 0.88 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL5724016 0.88 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL15238327 0.88 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL21584260 0.87 CTRB1 (0.52) ATMELANETRPM8CTSKCTRB1
SCHEMBL25465632 0.85 TRPM8 (0.66) ATMELANETRPM8CTSKCTRB1
SCHEMBL13489691 0.85 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL15414625 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3
SCHEMBL938011 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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 (2 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT ATM 856/4885ELANE 1284/4885TRPM8 4367/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT ATM 856/4885ELANE 1284/4885TRPM8 4367/4885

“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.