SCHEMBL3754834

SCHEMBL3754834

C[Si](C)(C)CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 4/20 0.52
GSK3B P49841 2/20 0.52
HIF1A Q16665 2/20 0.52
PTPN1 P18031 2/20 0.52
TRPA1 O75762 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 2/20 0.50
PLOD2 O00469 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL3617612 0.88 GSK3B (0.43) KMT2AMAPTMAPK1MEN1CYP3A4
SCHEMBL28450537 0.84 HPGD (0.54) KMT2AMAPTMEN1HPGDTDP1
SCHEMBL27800497 0.78 LMNA (0.46) KMT2AMAPTMAPK1MEN1CYP3A4
SCHEMBL31615018 0.78 KMT2A (0.52) KMT2AMAPTMAPK1MEN1CYP3A4
SCHEMBL28413239 0.77 ALDH1A1 (0.55) KMT2AMAPTMEN1CYP3A4HPGD
SCHEMBL27821269 0.77 PBRM1 (0.50) KMT2AMAPTMEN1CYP3A4SMN1; SMN2
SCHEMBL28421559 0.76 KMT2A (0.36) KMT2AMAPTMAPK1MEN1CYP3A4
SCHEMBL96254 0.75 MAPK1 (0.67) KMT2AMAPTMAPK1MEN1CYP3A4
SCHEMBL28405016 0.75 ALDH1A1 (0.50) KMT2AKDM4EALDH1A1GSK3B
SCHEMBL9210668 0.74 SMN1; SMN2 (0.39) KMT2AMAPTMAPK1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119560538-A Self-healing positive electrode material, secondary battery and preparation method 厦门厦钨新能源材料股份有限公司 2025-03-04 CN disclosed
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US disclosed
US-20040087787-A1 Novel thioester derivatives of thiazolyl acetic acid and their use in the preparation of cephalosporin compounds ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-05-06 US disclosed
EP-1347970-A1 NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS Orchid Chemicals and Pharmaceuticals Limited (IN) 2003-10-01 EP disclosed
WO-2002053563-A1 NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2002-07-11 WO disclosed
US-6388070-B1 CHEMICAL INTERMEDIATE ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2002-05-14 US disclosed
EP-0435794-A1 Alkenyl- or heteroaryl thio, sulfone, sulfoxy herbicides RHONE-POULENC AGROCHIMIE (FR) 1991-07-03 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KMT2A 3017/4885MAPT 3240/4885MAPK1 3504/4885
US-20040087787-A1 Novel thioester derivatives of thiazolyl acetic acid and their use in the preparation of cephalosporin compounds ACOT7, ACACA, COASY KMT2A 3727/4885MAPT 2940/4885MAPK1 3726/4885

“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.