Sugi Predict

Sugi Predict / Compounds / SCHEMBL17725713

SCHEMBL17725713

SCHEMBL17725713

COC(=O)CCNCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ CA12 O43570 5/20 0.38
▸ CA14 Q9ULX7 5/20 0.38
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ CA7 P43166 3/20 0.32
▸ CA9 Q16790 3/20 0.32

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
SCHEMBL17725649 0.90 TSHR (0.38) LTA4HTSHRCA12CA14PRKD3
SCHEMBL16086144 0.87 MLYCD (0.36) LTA4HEPHX2
SCHEMBL8721486 0.85 TET2 (0.36) TSHRCA12CA14ALDH1A1CA2
SCHEMBL20168030 0.84 TSHR (0.46) TSHRCA12CA14LMNAALDH1A1
SCHEMBL844556 0.82 DUT (0.33) —
SCHEMBL11635954 0.81 TSHR (0.50) TSHRCA12CA14LMNAALDH1A1
SCHEMBL15166734 0.80 DUT (0.33) —
SCHEMBL839062 0.79 TSHR (0.48) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6897953 0.78 KDM4E (0.32) ALDH1A1MEN1KMT2AKDM4ERECQL
SCHEMBL25345807 0.78 LMNA (0.47) TSHRLMNAALDH1A1KMT2ARECQL

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
WO-2023092242-A1 MULTI-MOTIF DENDRONS AND THEIR SUPRAMOLECULAR STRUCTURES AND USES THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-06-01 — — WO disclosed
US-10435398-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-10-08 — — US disclosed
US-10435398-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-10-08 — — US disclosed
US-20170320865-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170320865-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170320865-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
WO-2016069515-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 — — WO disclosed
WO-2016065583-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 — — 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-20170320865-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR LTA4H 834/4885TSHR 284/4885CA12 2189/4885
US-10435398-B2 Oxazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR LTA4H 834/4885TSHR 284/4885CA12 2189/4885

“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.