SCHEMBL4847137

SCHEMBL4847137

CCOC(=O)CC(NCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.48
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 1/20 0.39
MMP8 P22894 1/20 0.39
F2 P00734 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4851330 0.92 PPID (0.52) PPIDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4847843 0.91 PPID (0.49) PPIDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4846785 0.89 PPID (0.47) PPIDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4849249 0.88 PLA2G1B (0.51) PPIDALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16839662 0.85 ALDH1A1 (0.48) PPIDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4886533 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL4879646 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL4879637 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL1824442 0.83 PPID (0.43) PPIDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4848590 0.82 SMN1; SMN2 (0.50) PPIDALDH1A1MAPTSMN1; SMN2LMNA

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 PPID 4088/4885ALDH1A1 1354/4885MAPT 4153/4885

“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.