SCHEMBL14733433

SCHEMBL14733433

COC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 3/20 0.66
LMNA P02545 1/20 0.66
GLA P06280 1/20 0.66
HDAC1 Q13547 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
CTSL P07711 3/20 0.61
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ATM Q13315 1/20 0.57
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.55
LNPEP Q9UIQ6 1/20 0.55
CYP26A1 O43174 1/20 0.55

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
SCHEMBL16515824 1.00 GAA (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1793176 0.93 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL2461492 0.93 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.93 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928164 0.90 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928165 0.90 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL6030105 0.89 GAA (0.68) GAARAB9AALDH1A1LMNAGLA
SCHEMBL27761117 0.89 CTSL (0.62) GAARAB9AALDH1A1LMNAGLA
SCHEMBL7613514 0.89 RAB9A (0.64) GAARAB9AALDH1A1LMNAGLA
SCHEMBL5312462 0.89 NOS3 (0.61) GAARAB9AALDH1A1LMNAGLA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017059759-A1 PROCESS FOR PREPARATION OF N-BOC BIPHENYL ALANINOL CHIRAL QUEST (SUZHOU) CO., LTD. (CN) 2017-04-13 WO disclosed
EP-3119742-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX Holdings B.V. (NL) 2017-01-25 EP disclosed
US-20160200665-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2016-07-14 US disclosed
US-20160200665-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2016-07-14 US disclosed
US-20160200665-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2016-07-14 US disclosed
US-9139515-B2 Synthesis of R-biphenylalaninol DPX HOLDINGS B.V. (US) 2015-09-22 US disclosed
US-9139515-B2 Synthesis of R-biphenylalaninol DPX HOLDINGS B.V. (US) 2015-09-22 US disclosed
WO-2015024991-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2015-02-26 WO disclosed
WO-2015024991-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES DPX HOLDINGS B.V. (NL) 2015-02-26 WO disclosed
US-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM FINE CHEMICALS AUSTRIA NFG. GMBH & CO KG (AT) 2014-10-02 US disclosed
US-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM FINE CHEMICALS AUSTRIA NFG. GMBH & CO KG (AT) 2014-10-02 US disclosed
WO-2013026773-A1 SYNTHESIS OF R-BIPHENYLALANINOL DSM IP ASSETS B.V. (NL) 2013-02-28 WO 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 (2 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-20140296559-A1 SYNTHESIS OF R-BIPHENYLALANINOL CYP2B6, CYP2A6, CYP2D6 GAA 680/4885RAB9A 361/4885ALDH1A1 219/4885
US-20160200665-A1 SYNTHESIS OF BIPHENYLALANINOL VIA NOVEL INTERMEDIATES CYP1B1, UGT1A1, UGT2B7 GAA 310/4885RAB9A 668/4885ALDH1A1 65/4885

“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.