SCHEMBL4856838

SCHEMBL4856838

COC(=O)CC(C)NCc1ccc2c(c1)OOC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
MCHR1 Q99705 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL4856839 0.79 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRSMN1; SMN2CYP2D6
SCHEMBL9424396 0.77 ALOX5 (0.40) SMN1; SMN2KMT2A
SCHEMBL4846803 0.73 MEN1 (0.62) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL4855884 0.72 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL4854236 0.72 MEN1 (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL7317921 0.72 LOXL2 (0.35) ALDH1A1KDM4ETSHRSMN1; SMN2CYP2D6
SCHEMBL20578245 0.71 DPP7 (0.48) TSHRTDP1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL20578306 0.71 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL20578308 0.71 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4854043 0.71 DPP7 (0.48) TSHRTDP1SMN1; SMN2CYP2D6CYP2C9

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 ALDH1A1 1354/4885KDM4E 4728/4885TSHR 2523/4885

“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.