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Sugi Predict / Compounds / SCHEMBL3088031

SCHEMBL3088031

SCHEMBL3088031

CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 4/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.33

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
SCHEMBL6332675 1.00 MEN1 (0.41) MEN1KMT2ALMNAPTGS2ADORA3
SCHEMBL3088036 1.00 MEN1 (0.41) MEN1KMT2ALMNAPTGS2ADORA3
SCHEMBL3088041 1.00 MEN1 (0.41) MEN1KMT2ALMNAPTGS2ADORA3
SCHEMBL3074348 0.82 CYP2D6 (0.38) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL3074342 0.82 CYP2D6 (0.38) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL3074344 0.82 CYP2D6 (0.38) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL5963643 0.78 KMT2A (0.36) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL4189116 0.77 CYP2D6 (0.35) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL9375970 0.77 CYP2D6 (0.35) MEN1KMT2ALMNAPTGS2CYP2D6
SCHEMBL7462796 0.77 ALDH1A1 (0.42) KMT2ALMNATDP1SMN1; SMN2ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-09-09 — — US disclosed
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-09-09 — — US disclosed
US-7667055-B2 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-23 — — US disclosed
US-7667055-B2 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-23 — — US disclosed
US-7550608-B2 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-23 — — US disclosed
US-7550608-B2 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-23 — — US disclosed
US-7541458-B2 β-lactam synthesis FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 — — US disclosed
US-7541458-B2 β-lactam synthesis FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 — — US disclosed
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 — — US disclosed
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 — — US disclosed
EP-0639577-B1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL MYERS SQUIBB CO (US) 2002-05-15 — — EP disclosed
EP-0694539-B1 7-O-Ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2001-11-28 — — EP disclosed
US-20010023255-A1 PHOSPHONOOXYMETHYL ETHERS OF TAXANE DERIVATIVES GOLIK JERZY (US) 2001-09-20 — — US disclosed
US-6201140-B1 ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY 2001-03-13 — — US disclosed
EP-0604910-B1 Phosphonooxymethyl ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2000-06-14 — — EP disclosed
CN-1237580-A Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 1999-12-08 — — CN disclosed
US-5646176-A Phosphonooxymethyl ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-08 — — US disclosed
EP-0694539-A1 7-o-Ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-01-31 — — EP disclosed
EP-0639577-A1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-02-22 — — EP disclosed
EP-0604910-A1 Phosphonooxymethyl ethers of taxane derivatives Bristol-Myers Squibb Company (US) 1994-07-06 — — 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 (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-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS COASY, PARG, PIN4 MEN1 179/4885KMT2A 1366/4885LMNA 978/4885
US-20010023255-A1 PHOSPHONOOXYMETHYL ETHERS OF TAXANE DERIVATIVES PHOSPHO1, MTMR1, PIK3CA MEN1 2172/4885KMT2A 2027/4885LMNA 2835/4885

“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.