SCHEMBL4888129

SCHEMBL4888129

CC(N[C@H](CCc1ccccc1)CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MMP2 P08253 4/20 0.49
MMP3 P08254 2/20 0.49
EPHX2 P34913 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4878542 1.00 SIGMAR1 (0.51) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL4878549 1.00 SIGMAR1 (0.51) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL4888131 1.00 SIGMAR1 (0.51) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL4878546 1.00 SIGMAR1 (0.51) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL7376592 0.87 CTSG (0.50) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL7371834 0.87 CTSG (0.50) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL4858560 0.87 CTSG (0.50) SIGMAR1MMP2MMP3EPHX2TSHR
SCHEMBL4883081 0.85 MMP2 (0.46) MMP2MMP3TSHRMEN1KMT2A
SCHEMBL4883091 0.85 MMP2 (0.46) MMP2MMP3TSHRMEN1KMT2A
SCHEMBL4886945 0.85 MMP2 (0.46) MMP2MMP3TSHRMEN1KMT2A

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 SIGMAR1 1339/4885MMP2 584/4885MMP3 1078/4885

“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.