Sugi Predict

Sugi Predict / Compounds / SCHEMBL2877636

SCHEMBL2877636

SCHEMBL2877636

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.36
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL3757198 0.95 DUT (0.35) DUTTSHRMEN1KMT2AGAA
SCHEMBL2551625 0.93 TDP1 (0.37) DUTTSHRTDP1ACHEPOLB
SCHEMBL22774011 0.93 TDP1 (0.37) DUTTSHRTDP1ACHEPOLB
SCHEMBL27160300 0.92 GAA (0.34) DUTTSHRMEN1KMT2AL3MBTL1
SCHEMBL15941254 0.89 BACE1 (0.32) DUTBACE1
SCHEMBL27160920 0.88 EPHX2 (0.33) DUTGAA
SCHEMBL23860073 0.85 EPHX2 (0.34) DUTMEN1KMT2AGAASMN1; SMN2
SCHEMBL27160301 0.85 MEN1 (0.37) DUTMEN1KMT2AGAAALDH1A1
SCHEMBL17555661 0.83 MEN1 (0.40) DUTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3056923 0.81 TDP1 (0.54) TSHRMEN1KMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 — — CN disclosed
US-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2018-07-05 — — US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 — — EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 — — EP disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 — — WO disclosed
EP-1448195-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION AstraZeneca AB (SE) 2004-08-25 — — EP disclosed
WO-2003041707-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2003-05-22 — — 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 (1 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-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY NCL, NPC1, SNX9 DUT 393/4885TSHR 4113/4885MEN1 2110/4885

“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.