SCHEMBL3777347

SCHEMBL3777347

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
FFAR1 O14842 2/20 0.39
CPA1 P15085 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MMP2 P08253 5/20 0.36
MMP3 P08254 3/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 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
SCHEMBL5747649 1.00 MAPT (0.40) MAPTFFAR1CPA1GABBR2GABBR1
SCHEMBL5831033 1.00 MAPT (0.40) MAPTFFAR1CPA1GABBR2GABBR1
SCHEMBL13014511 0.88 MAPT (0.35) MAPT
SCHEMBL3778543 0.88 MAPT (0.35) MAPT
SCHEMBL5830575 0.87 KCNA5 (0.42) MAPT
SCHEMBL3403997 0.87 KCNA5 (0.42) MAPT
SCHEMBL3779621 0.87 KCNA5 (0.42) MAPT
SCHEMBL25175870 0.85 MAPT (0.38) MAPTFFAR1GABBR2GABBR1MMP2
SCHEMBL8952823 0.85 MAPT (0.38) MAPTFFAR1GABBR2GABBR1MMP2
SCHEMBL8892070 0.85 FFAR1 (0.37) FFAR1CPA3CYP2C19

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
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 EP disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1315732-B1 RADICICOL AND MONOCILLIN AND THEIR ANALOGUES AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2006-06-07 EP disclosed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 US disclosed
EP-1315732-A2 RADICICOL AND MONOCILLIN AND THEIR ANALOGUES AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2003-06-04 EP disclosed
US-20020091151-A1 Novel macrocycles and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-07-11 US disclosed
WO-2002016369-A2 NOVEL MACROCYCLES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-02-28 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 (3 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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 MAPT 3675/4885FFAR1 1420/4885CPA1 4255/4885
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE MAPT 1891/4885FFAR1 104/4885CPA1 3934/4885
US-20020091151-A1 Novel macrocycles and uses thereof ABCE1, DCK, BDKRB1 MAPT 4289/4885FFAR1 3521/4885CPA1 2837/4885

“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.