SCHEMBL4858560

SCHEMBL4858560

COC(=O)CC(CCc1ccccc1)NC(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
EPHX2 P34913 2/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KCNA5 P22460 1/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 1/20 0.42
MMP2 P08253 3/20 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
SCHEMBL7376592 1.00 CTSG (0.50) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL7371834 1.00 CTSG (0.50) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL4850873 0.88 CTSG (0.51) CTSGCTRB1TSHRKMT2ACA12
SCHEMBL4878546 0.87 SIGMAR1 (0.51) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL4888129 0.87 SIGMAR1 (0.51) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL4878542 0.87 SIGMAR1 (0.51) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL4878549 0.87 SIGMAR1 (0.51) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL4888131 0.87 SIGMAR1 (0.51) CTSGCTRB1SIGMAR1EPHX2TSHR
SCHEMBL13674818 0.83 POLB (0.49) SIGMAR1KMT2AALDH1A1CA12CA7
SCHEMBL4856680 0.82 KCNA5 (0.46) SIGMAR1KMT2AALDH1A1CA12CA7

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 CTSG 2611/4885CTRB1 882/4885SIGMAR1 1339/4885

“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.