Sugi Predict

Sugi Predict / Compounds / SCHEMBL4071198

SCHEMBL4071198

SCHEMBL4071198

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.67
▸ TSHR P16473 1/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SUCNR1 Q9BXA5 1/20 0.43
▸ EDNRA P25101 2/20 0.43
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ HDAC4 P56524 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL15307543 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL2533818 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5089398 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL3343090 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL6689012 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL1692473 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL9458781 1.00 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
Ammonia Solution, Strong SCHEMBL6580821 0.98 EPHX1 (0.64) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5598408 0.86 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5598863 0.86 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 — — EP claimed
US-5256803-A Process for the preparation of (2R,3R)-cis)-β-phenylglycidic acid RHONE-POULENC RORER S.A. (FR) 1993-10-26 — — US claimed
JP-2009114065-A METHOD FOR PRODUCING (2R,3R) AND (2S,3S)-3-PHENYLISOSERINE DERIVATIVE KANEKA CORP 2009-05-28 — — JP disclosed
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 — — EP disclosed
WO-2007097336-A1 PROCESS FOR PRODUCING (2R,3R)- AND (2S,3S)-3-PHENYLISOSERINE DERIVATIVES KANEKA CORPORATION (JP) 2007-08-30 — — WO disclosed
EP-1601778-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES Council of Scientific and Industrial Research (IN) 2005-12-07 — — EP disclosed
US-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain COUNCIL OF SCIENTIFIC AND INDUSTRIAL (IN) 2004-12-23 — — US disclosed
WO-2004081219-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-23 — — WO disclosed
US-20030013889-A1 Process for the preparation of taxane derivatives AVENTIS PHARMA S.A. 2003-01-16 — — US disclosed
US-6433180-B1 CHEMICAL INTERMEDIATE FOR TAXOL AVENTIS PHARMA S.A. (FR) 2002-08-13 — — US disclosed
US-5686623-A Method for preparing taxane derivatives RHONE-POULENC RORER, S.A. (FR) 1997-11-11 — — US disclosed
EP-0654026-B1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 1997-02-19 — — EP disclosed
US-5576438-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktiesel Skab) (DK) 1996-11-19 — — US disclosed
US-5256803-A Process for the preparation of (2R,3R)-cis)-β-phenylglycidic acid RHONE-POULENC RORER S.A. (FR) 1993-10-26 — — US disclosed
US-5234932-A Bronchodilators, antiallergens, antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1993-08-10 — — 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
EP-0489831-A1 Substituted quinolines, their preparation and their use as lipoxygenase inhibitors and/or leukotriene antagonists LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1992-06-17 — — EP disclosed
WO-1991003466-A1 SUBSTITUTED QUINOLINES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1991-03-21 — — 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-20030013889-A1 Process for the preparation of taxane derivatives AR, CBR1, CBR3 EPHX1 3524/4885TSHR 1995/4885MEN1 4006/4885
US-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain GMDS, GPI, B3GAT3 EPHX1 1377/4885TSHR 4711/4885MEN1 4523/4885

“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.