SCHEMBL4857148

SCHEMBL4857148

COC(=O)CC(C)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.43
KCNA5 P22460 4/20 0.43
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.37
NPC1 O15118 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL15672754 1.00 KCNN4 (0.43) KCNN4KCNA5RAB9AMAPTPOLB
SCHEMBL4887937 0.85 CYP2C19 (0.43) KCNN4RAB9AMAPTALDH1A1CYP1A2
SCHEMBL4880944 0.85 CYP2C19 (0.43) KCNN4RAB9AMAPTALDH1A1CYP1A2
SCHEMBL4880938 0.85 CYP2C19 (0.43) KCNN4RAB9AMAPTALDH1A1CYP1A2
SCHEMBL8996547 0.81 POLB (0.42) KCNN4KCNA5RAB9AMAPTPOLB
SCHEMBL8996586 0.81 POLB (0.42) KCNN4KCNA5RAB9AMAPTPOLB
SCHEMBL4847757 0.81 KCNA5 (0.44) KCNN4KCNA5POLBKMT2AALDH1A1
SCHEMBL5799829 0.81 KMT2A (0.43) KCNN4KCNA5POLBKMT2AALDH1A1
SCHEMBL29045223 0.81 KMT2A (0.43) KCNN4KCNA5POLBKMT2AALDH1A1
SCHEMBL9803231 0.77 KCNN4 (0.37) KCNN4KCNA5RAB9APOLBALDH1A1

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 KCNN4 3836/4885KCNA5 4185/4885RAB9A 1336/4885

“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.