Sugi Predict

Sugi Predict / Compounds / SCHEMBL21379413

SCHEMBL21379413

SCHEMBL21379413

C[C@H](CI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ SMYD2 Q9NRG4 1/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ TAAR1 Q96RJ0 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
SCHEMBL21379414 1.00 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL3991039 0.84 LMNA (0.34) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL4914439 0.83 TAAR1 (0.41) CYP3A4HTTSMN1; SMN2RIPK1SLC6A3
SCHEMBL13915435 0.83 TRPA1 (0.37) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL4735366 0.83 TRPA1 (0.37) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL4766097 0.83 TRPA1 (0.37) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL15467266 0.83 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL15467267 0.83 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL16634021 0.83 TAAR1 (0.41) CYP3A4HTTSMN1; SMN2RIPK1SLC6A3
SCHEMBL4764717 0.83 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2RIPK1SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CYP3A4 18/4885HTT 2559/4885SMN1; SMN2 3957/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP3A4 15/4885HTT 2480/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885HTT 2559/4885SMN1; SMN2 3957/4885

“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.