SCHEMBL4879646

SCHEMBL4879646

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ACP3 P15309 3/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
PDPK1 O15530 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
FPR2 P25090 2/20 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
SCHEMBL4879637 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4886533 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4849251 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL3959553 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4848662 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4882234 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4885522 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4882247 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ATML3MBTL1ACP3GAA
SCHEMBL4890461 0.85 CNR2 (0.49) SMN1; SMN2ATML3MBTL1ACP3ALDH1A1
SCHEMBL4848544 0.85 CTSA (0.49) SMN1; SMN2ATML3MBTL1MAPTALDH1A1

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 SMN1; SMN2 4168/4885ATM 3793/4885L3MBTL1 4360/4885

“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.