SCHEMBL4848178

SCHEMBL4848178

COC(=O)CC(NCc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 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
SCHEMBL4855845 0.94 PKM (0.48) PKMSMN1; SMN2MEN1KMT2AATM
SCHEMBL8996556 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL8996527 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL4852674 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL4856316 0.89 MEN1 (0.44) PKMSMN1; SMN2MEN1KMT2A
SCHEMBL4846798 0.88 TDP1 (0.53) MEN1KMT2AATMNPC1RAB9A
SCHEMBL4889231 0.87 SMN1; SMN2 (0.56) PKMSMN1; SMN2MEN1KMT2AATM
SCHEMBL4883253 0.87 SMN1; SMN2 (0.56) PKMSMN1; SMN2MEN1KMT2AATM
SCHEMBL4883244 0.87 SMN1; SMN2 (0.56) PKMSMN1; SMN2MEN1KMT2AATM
SCHEMBL6329123 0.86 CASR (0.54) PKMMEN1KMT2AL3MBTL1TP53

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 4 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

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 PKM 3960/4885SMN1; SMN2 4168/4885MEN1 3529/4885

“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.