SCHEMBL3091676

SCHEMBL3091676

COC(=O)C(N)C(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SLC6A3 Q01959 1/20 0.35
THRB P10828 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12875937 0.90 SMN1; SMN2 (0.34) SMN1; SMN2TSHRTP53THRBHSD17B10
Hydrochloric Acid SCHEMBL1198489 0.88 SMN1; SMN2 (0.33) SMN1; SMN2TSHRTP53THRB
SCHEMBL13437369 0.81 ALDH1A1 (0.46) TSHRALDH1A1NPSR1THRBHPGD
SCHEMBL7838351 0.81 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL21765808 0.80 CES2 (0.41) SMN1; SMN2TSHRCES2CES1HDAC8
Hydrochloric Acid SCHEMBL22683491 0.78 ALDH1A1 (0.42) TSHRALDH1A1NPSR1SLC6A3THRB
SCHEMBL10901570 0.78 SMN1; SMN2 (0.34) SMN1; SMN2TSHRCES2CES1HDAC8
SCHEMBL3826078 0.77 SMN1; SMN2 (0.39) SMN1; SMN2TSHRCES2CES1HDAC8
SCHEMBL24520292 0.75 CES2 (0.44) TSHRCES2CES1HDAC8HDAC6
SCHEMBL1617657 0.74 SMN1; SMN2 (0.40) SMN1; SMN2TSHRCES2CES1HDAC8

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
EP-1650185-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2013-05-01 EP disclosed
EP-1650185-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2013-05-01 EP disclosed
US-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-27 US disclosed
EP-1650185-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2006-04-26 EP 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-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative ALDH7A1, HCAR1, ALAD SMN1; SMN2 3508/4885TSHR 2932/4885CES2 635/4885

“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.