SCHEMBL2551691

SCHEMBL2551691

CN(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.34
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22774423 1.00 DUT (0.34) DUTKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL2880215 0.93 DUT (0.35) DUTKDM4EALDH1A1
SCHEMBL23067161 0.86 DUT (0.31) DUT
SCHEMBL3756533 0.83 DUT (0.35) DUT
SCHEMBL14680142 0.83 L3MBTL1 (0.36) DUT
SCHEMBL29549857 0.83 L3MBTL1 (0.36) DUT
SCHEMBL20660409 0.81 DRD2 (0.32)
SCHEMBL17555693 0.81 DUT (0.37) DUTKDM4EALDH1A1
SCHEMBL3752953 0.81 DUT (0.34) DUT
SCHEMBL25183720 0.78 KDM4E (0.30) KDM4ESMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097775-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2024-05-10 WO disclosed
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-08 US disclosed
EP-4031247-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-07-27 EP disclosed
WO-2021053495-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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 (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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS DUT 58/4885KDM4E 911/4885SMN1; SMN2 2688/4885
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE JMJD7, MDM2, IDE DUT 1413/4885KDM4E 2112/4885SMN1; SMN2 329/4885

“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.