SCHEMBL6552377

SCHEMBL6552377

CC(=O)NC(=C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.46
CES2 O00748 2/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 4/20 0.45
HSD17B10 Q99714 2/20 0.45
NAPRT Q6XQN6 2/20 0.45
MAPT P10636 4/20 0.44
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL11435701 0.85 MAPT (0.48) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL11435704 0.85 MAPT (0.48) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL6657749 0.83 ALDH1A1 (0.46) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL6665605 0.83 ALDH1A1 (0.46) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL11048446 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EGAAL3MBTL1EPHX1
SCHEMBL6657756 0.83 ALDH1A1 (0.46) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL11762907 0.82 MAPT (0.45) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL3877253 0.80 ALDH1A1 (0.43) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL9823973 0.80 MAPT (0.46) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL10613362 0.79 PTPN1 (0.47) CES1CES2ALDH1A1KDM4EL3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
EP-2747564-A1 HERBICIDAL COMPOSITIONS COMPRISING CHLOROACETAMIDES BASF SE (DE) 2014-07-02 EP disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
WO-2013026811-A1 HERBICIDAL COMPOSITIONS COMPRISING CHLOROACETAMIDES BASF SE (DE) 2013-02-28 WO disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
EP-1482800-A2 HERBICIDE COMBINATION WITH ACYLATED AMINOPHENYLSULFONYLUREAS Bayer CropScience GmbH (DE) 2004-12-08 EP disclosed
WO-2003073853-A2 HERBICIDE COMBINATION WITH ACYLATED AMINOPHENYLSULFONYLUREAS BAYER CROPSCIENCE GMBH (DE) 2003-09-12 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 (6 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 CES1 1643/4885CES2 275/4885ALDH1A1 501/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 CES1 1627/4885CES2 281/4885ALDH1A1 523/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 CES1 1643/4885CES2 275/4885ALDH1A1 501/4885
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 CES1 1643/4885CES2 275/4885ALDH1A1 501/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 CES1 1643/4885CES2 275/4885ALDH1A1 501/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 CES1 1643/4885CES2 275/4885ALDH1A1 501/4885

“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.