SCHEMBL4848772

SCHEMBL4848772

COC(=O)CC(CCc1ccc(F)cc1)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.41
CA2 P00918 1/20 0.41
APLNR P35414 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4850667 0.92 CTSG (0.53) ALDH1A1CTSGCTRB1KMT2AMEN1
SCHEMBL4850726 0.89 SCN9A (0.46) ALDH1A1KDM4ECTSGCTRB1KMT2A
SCHEMBL4850843 0.88 CTSG (0.47) ALDH1A1CTSGCTRB1KMT2ALMNA
SCHEMBL4856038 0.88 MEN1 (0.54) ALDH1A1CTSGCTRB1KMT2AMEN1
SCHEMBL4854203 0.87 CA12 (0.51) ALDH1A1KDM4EKMT2ALMNACA12
SCHEMBL4886817 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL4882016 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL4882026 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL4847154 0.86 TAAR1 (0.49) ALDH1A1CTSGCTRB1KMT2AMEN1
SCHEMBL4408805 0.82 MEN1 (0.48) ALDH1A1KDM4EKMT2ALMNAMEN1

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 4728/4885CTSG 2611/4885

“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.