SCHEMBL4850667

SCHEMBL4850667

COC(=O)CC(CCc1ccccc1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.53
CTRB1 P17538 1/20 0.53
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.44
BCHE P06276 1/20 0.44
MMP8 P22894 1/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP12 P39900 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4848772 0.92 ALDH1A1 (0.48) CTSGCTRB1ALDH1A1SMN1; SMN2BCHE
SCHEMBL4850843 0.92 CTSG (0.47) CTSGCTRB1ALDH1A1BCHEATM
SCHEMBL4856038 0.92 MEN1 (0.54) CTSGCTRB1ALDH1A1BCHEATM
SCHEMBL4408805 0.89 MEN1 (0.48) ALDH1A1ATMMEN1KMT2ACA12
SCHEMBL4850726 0.88 SCN9A (0.46) CTSGCTRB1ALDH1A1SMN1; SMN2BCHE
SCHEMBL4847154 0.88 TAAR1 (0.49) CTSGCTRB1ALDH1A1BCHEATM
SCHEMBL4857826 0.88 MEN1 (0.43) CTSGCTRB1ALDH1A1MEN1KMT2A
SCHEMBL4848083 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ATMGAAMEN1
SCHEMBL4856050 0.85 SIGMAR1 (0.49) ATMMEN1KMT2A
SCHEMBL4855282 0.85 KMT2A (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
EP-0355819-B1 Substituted aryl ureas as high potency sweeteners NUTRASWEET CO (US) 1994-01-05 EP disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 CTSG 2611/4885CTRB1 882/4885ALDH1A1 1354/4885

“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.