SCHEMBL4848544

SCHEMBL4848544

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.49
CNR2 P34972 1/20 0.49
PRNP P04156 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
EEF2K O00418 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4856270 1.00 CTSA (0.49) CTSACNR2PRNPNPSR1RXFP1
SCHEMBL4848539 1.00 CTSA (0.49) CTSACNR2PRNPNPSR1RXFP1
SCHEMBL3959553 0.89 SMN1; SMN2 (0.56) ALDH1A1EEF2KSMN1; SMN2MAPTATM
SCHEMBL4849251 0.89 SMN1; SMN2 (0.56) ALDH1A1EEF2KSMN1; SMN2MAPTATM
SCHEMBL4848662 0.89 SMN1; SMN2 (0.56) ALDH1A1EEF2KSMN1; SMN2MAPTATM
SCHEMBL4882234 0.86 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTATML3MBTL1
SCHEMBL4882247 0.86 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTATML3MBTL1
SCHEMBL4885522 0.86 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTATML3MBTL1
SCHEMBL4855579 0.86 ALDH1A1 (0.48) CNR2NPSR1ALDH1A1RAB9AKDM4E
SCHEMBL4879637 0.85 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTATML3MBTL1

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 CTSA 2461/4885CNR2 1070/4885PRNP 3123/4885

“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.