SCHEMBL4885582

SCHEMBL4885582

CC(CC(=O)O)NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DPP4 P27487 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
MAOB P27338 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
SCHEMBL4885577 1.00 HPGD (0.55) HPGDMAPK1HTTTSHRPOLB
SCHEMBL4888063 1.00 HPGD (0.55) HPGDMAPK1HTTTSHRPOLB
SCHEMBL4880184 0.85 SMN1; SMN2 (0.50) HPGDRAB9AALDH1A1DPP4LMNA
SCHEMBL4880197 0.85 SMN1; SMN2 (0.50) HPGDRAB9AALDH1A1DPP4LMNA
SCHEMBL4885856 0.85 SMN1; SMN2 (0.50) HPGDRAB9AALDH1A1DPP4LMNA
SCHEMBL2852187 0.84 SIGMAR1 (0.61) HPGDPOLBRAB9AALDH1A1KMT2A
SCHEMBL4855673 0.84 SIGMAR1 (0.61) HPGDPOLBRAB9AALDH1A1KMT2A
SCHEMBL4849306 0.84 SIGMAR1 (0.61) HPGDPOLBRAB9AALDH1A1KMT2A
SCHEMBL4851286 0.84 HPGD (0.53) HPGDMAPK1HTTTSHRPOLB
SCHEMBL4886570 0.83 DPP7 (0.50) TSHRRAB9AALDH1A1LMNAKMT2A

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 HPGD 470/4885MAPK1 3796/4885HTT 487/4885

“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.