Sugi Predict

Sugi Predict / Compounds / SCHEMBL5633091

SCHEMBL5633091

SCHEMBL5633091

CC(C)[Si](Oc1cc(C=O)c(O)c(C(C)(C)C)c1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ GABBR2 O75899 1/20 0.36
▸ GABBR1 Q9UBS5 1/20 0.36
▸ HMGCR P04035 2/20 0.35
▸ ERN1 O75460 7/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30186532 0.79 CA1 (0.67) CA2CA1GABBR2GABBR1ERN1
SCHEMBL311610 0.79 CA1 (0.67) CA2CA1GABBR2GABBR1ERN1
SCHEMBL18157017 0.74 ELANE (0.45) CA2CA1GABBR2GABBR1ERN1
SCHEMBL30222051 0.71 ERN1 (0.47) CA2CA1GABBR2GABBR1ERN1
SCHEMBL207854 0.71 ERN1 (0.47) CA2CA1GABBR2GABBR1ERN1
SCHEMBL10099657 0.71 ALDH1A1 (0.51) MAPTALDH1A1CYP1A2ATMNPSR1
SCHEMBL30646074 0.70 ERN1 (0.67) CA2CA1GABBR2GABBR1ERN1
SCHEMBL187267 0.70 ALOX5 (0.49) CA2CA1GABBR2GABBR1ERN1
SCHEMBL29467329 0.70 ALOX5 (0.49) CA2CA1GABBR2GABBR1ERN1
SCHEMBL29467330 0.70 ALOX5 (0.49) CA2CA1GABBR2GABBR1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207365-B2 Polymeric salen compounds and methods thereof GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-26 — — US disclosed
US-20090030172-A1 POLYMERIC SALEN COMPOUNDS AND METHODS THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-29 — — US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 — — US disclosed
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates HARVARD UNIVERSITY (US) 2005-08-25 — — US disclosed
US-6841667-B2 Nucleophilic kinetic resolution of cyclic substrates using silyl azides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-01-11 — — US disclosed
US-6800766-B2 CATALYZING THE DECYCLIZATION OF RACEMIC AND DIASTEREOMERIC EPOXIDES MIXTURES IN THE PRESENCE OF A NON-RACEMIC, CHIRAL CATALYST; PHARMACEUTICAL SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-10-05 — — US disclosed
US-20040044233-A1 Nucleophilic kinetic resolution of cyclic substrates using silyl azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-04 — — US disclosed
US-20030139614-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-07-24 — — US disclosed
US-6448414-B1 ENANTIOMERICALLY PURE COMPOUNDS BY REACTING WATER AND CARBOCYCLE OR HETEROCYCLE HAVING AN ELECTROPHILIC CENTER IN THE PRESENCE OF AN ASYMMETRIC TETRADENTATE LIGAND COMPLEXED WITH A METAL ATOM, WHICH HAS A GEOMETRIC SHAPE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 — — US disclosed
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-03-14 — — US disclosed
US-6262278-B1 REACTING WATER AND MIXTURE OF STEREOISOMERS OF CHIRAL CYCLIC SUBSTRATE IN THE PRESENCE OF NON-RACEMIC CHIRAL CATALYST TO PRODUCE BY KINETIC RESOLUTION STEREOISOMERICALLY ENRICHED CYCLIC SUBSTRATE OR STEREOISOMERICALLY ENRICHED HYDROLYZATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-07-17 — — US disclosed
EP-1104395-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-06-06 — — EP disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 — — 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 (5 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-20030139614-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH CA2 1794/4885CA1 665/4885GABBR2 3188/4885
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH CA2 1794/4885CA1 665/4885GABBR2 3188/4885
US-20090030172-A1 POLYMERIC SALEN COMPOUNDS AND METHODS THEREOF F12, CHRM1, H1-0 CA2 2813/4885CA1 1942/4885GABBR2 3057/4885
US-20040044233-A1 Nucleophilic kinetic resolution of cyclic substrates using silyl azides SAMHD1, PCNA, ESD CA2 2597/4885CA1 781/4885GABBR2 2912/4885
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH CA2 1794/4885CA1 665/4885GABBR2 3188/4885

“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.