SCHEMBL487564

SCHEMBL487564

COC(=O)[C@@H]1O[C@@H]1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
EPHX1 P07099 3/20 0.56
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ITGA4 P13612 1/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 1/20 0.44
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL10001744 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL9543017 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL487563 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL6233713 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL10001742 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL1692429 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL8168248 1.00 TSHR (0.67) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL16477739 0.90 EPHX1 (0.61) TSHREPHX1POLBCYP2D6ALDH1A1
SCHEMBL15446214 0.87 TSHR (0.53) TSHREPHX1POLBALDH1A1MAPT
SCHEMBL7902731 0.85 TSHR (0.54) TSHREPHX1ALDH1A1MAPTITGA4

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
US-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 US disclosed
EP-1961735-B1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt INDENA SPA (IT) 2009-11-18 EP disclosed
WO-2008101608-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2008-08-28 WO disclosed
EP-1961735-A1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt Indena S.P.A. (IT) 2008-08-27 EP disclosed
EP-1412319-A1 CHIRAL RESOLUTION METHOD FOR PRODUCING COMPOUNDS USEFUL IN THE SYNTHESIS OF TAXANES NAPRO BIOTHERAPEUTICS, INC. (US) 2004-04-28 EP disclosed
US-6653501-B2 Using chromatographic process for separating a target chiral compound from its enantiomer in a racemic mixtures; purification NAPRO BIOTHERAPEUTICS, INC. 2003-11-25 US disclosed
US-20030045743-A1 Chiral resolution method for producing compounds useful in the synthesis of taxanes MAYNE PHARMA (USA), INC. 2003-03-06 US disclosed
WO-2003002509-A1 CHIRAL RESOLUTION METHOD FOR PRODUCING COMPOUNDS USEFUL IN THE SYNTHESIS OF TAXANES NAPRO BIOTHERAPEUTICS, INC. (US) 2003-01-09 WO disclosed
US-5663393-A CYCLIZATION; DECYCLIZATION; HYDROLYSIS; HYDROGENATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-09-02 US disclosed
US-5637739-A ORGANOMETALLIC CATALYSTS FOR ENANTIOSELECTIVELY EPOXIDIZING PROCHIRAL OLEFINS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US disclosed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 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-20030045743-A1 Chiral resolution method for producing compounds useful in the synthesis of taxanes CCNK, OPRK1, SYMPK TSHR 3694/4885EPHX1 1034/4885POLB 3966/4885
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT SPTSSB, SRR, MTAP TSHR 1870/4885EPHX1 3540/4885POLB 421/4885

“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.