Sugi Predict

Sugi Predict / Compounds / SCHEMBL2551625

SCHEMBL2551625

SCHEMBL2551625

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ACHE P22303 6/20 0.35
▸ DUT P33316 1/20 0.35
▸ EPHX1 P07099 2/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 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
SCHEMBL22774011 1.00 TDP1 (0.37) TDP1CA12CA1CA2CA9
SCHEMBL3757198 0.98 DUT (0.35) TDP1CA12CA1CA2CA9
SCHEMBL2877636 0.93 DUT (0.36) TDP1ACHEDUTPOLBHPGD
SCHEMBL27160920 0.91 EPHX2 (0.33) CA12CA1CA2CA9DUT
SCHEMBL23860073 0.89 EPHX2 (0.34) DUT
SCHEMBL15941254 0.86 BACE1 (0.32) DUT
SCHEMBL27160300 0.86 GAA (0.34) KDM4EDUTHPGDTSHR
SCHEMBL5623734 0.83 MAOA (0.36) TDP1CA12CA1CA2CA9
SCHEMBL29549866 0.83 TDP1 (0.59) TDP1CA12CA1CA2CA9
SCHEMBL9557452 0.83 MEN1 (0.58) TDP1CA12CA1CA2CA9

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 TDP1 83/4885CA12 4864/4885CA1 4850/4885
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE JMJD7, MDM2, IDE TDP1 636/4885CA12 3885/4885CA1 4369/4885

“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.