SCHEMBL7963629

SCHEMBL7963629

CC(C)CC1CC(=O)N(O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
POLB P06746 2/20 0.34
CYP2C19 P33261 2/20 0.32
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP12 P39900 2/20 0.31

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
SCHEMBL16900024 0.78 MME (0.53) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL8228528 0.78 CYP2C19 (0.44) MMECYP2C19MT-CO2ALOX5ALDH1A1
SCHEMBL15998823 0.77 MME (0.64) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL22952376 0.77 MME (0.51) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL23757384 0.76 MC4R (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25632969 0.76 MME (0.50) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL15264476 0.74 KMT2A (0.33) MMECYP2C19MT-CO2ALOX5ALDH1A1
SCHEMBL22956874 0.74 MME (0.60) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL20078444 0.74 MME (0.49) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL13003189 0.72 ELANE (0.37) CYP2C19MAPTLMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154930-B1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD (CH) 2018-04-18 EP disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-9737613-B2 Colloid bonded medicinal compounds B. BRAUN MELSUNGEN AG (DE) 2017-08-22 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
WO-2015189068-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2015-12-17 WO disclosed
US-20150202307-A1 Colloid Bonded Medicinal Compounds B. BRAUN MELSUNGEN AG (DE) 2015-07-23 US disclosed
US-8546112-B2 Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester SANDOZ AG (CH) 2013-10-01 US disclosed
US-8546112-B2 Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester SANDOZ AG (CH) 2013-10-01 US disclosed
EP-2294207-B1 Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester SANDOZ AG (CH) 2012-09-26 EP disclosed
US-20110165636-A1 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2011-07-07 US disclosed
US-20110165636-A1 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2011-07-07 US disclosed
WO-2009141362-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2009-11-26 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-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS GLUL, GABRB2, GABRB1 MME 1448/4885HDAC3 2073/4885HDAC4 3251/4885
US-20150202307-A1 Colloid Bonded Medicinal Compounds ALB, EPCAM, SERPINA6 MME 1237/4885HDAC3 3761/4885HDAC4 4622/4885

“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.