SCHEMBL3134129

SCHEMBL3134129

COCO[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C(=O)O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMYD2 Q9NRG4 1/20 0.31

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
SCHEMBL3134124 1.00 CYP3A4 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL908387 0.89 ABCB1 (0.35) CYP3A4
SCHEMBL909010 0.86 CTSS (0.32) CYP3A4
SCHEMBL909009 0.86 CTSS (0.32) CYP3A4
SCHEMBL3135181 0.84 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3139064 0.84 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3135186 0.84 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL908388 0.76 CYP3A4 (0.31) CYP3A4HTTSMN1; SMN2
SCHEMBL908975 0.75 ALDH1A1 (0.32) CYP3A4HTTSMN1; SMN2
SCHEMBL908364 0.75 ALDH1A1 (0.32) CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US 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-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 CYP3A4 767/4885HTT 6/4885SMN1; SMN2 288/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CYP3A4 2999/4885HTT 10/4885SMN1; SMN2 420/4885

“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.