Sugi Predict

Sugi Predict / Compounds / SCHEMBL21628345

SCHEMBL21628345

SCHEMBL21628345

Cc1cc(C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.40
▸ SORT1 Q99523 5/20 0.40
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ DUT P33316 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 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
SCHEMBL22119041 0.92 KDM4E (0.42) GRNSORT1LMNAKDM4EHTT
SCHEMBL26924559 0.87 GAA (0.40) LMNAKDM4EHTTDUTALDH1A1
SCHEMBL15273722 0.86 ALDH1A1 (0.43) LMNAPOLBALDH1A1GAAATM
SCHEMBL26003574 0.85 GRN (0.40) GRNSORT1KDM4EDUT
SCHEMBL26927191 0.83 GRN (0.39) GRNSORT1KDM4EDUT
SCHEMBL26924828 0.82 GRN (0.38) GRNSORT1KDM4EDUTALDH1A1
SCHEMBL2518853 0.80 HCAR3 (0.45) GRNSORT1LMNAKDM4EHTT
SCHEMBL22119077 0.79 ALDH1A1 (0.42) LMNAKDM4EDUTPOLBALDH1A1
SCHEMBL6076773 0.78 PTGER1 (0.42) KDM4E
SCHEMBL15273749 0.78 DUT (0.34) LMNAKDM4EDUTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975287-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-04-13 — — US disclosed
US-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-15 — — US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 — — EP 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-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS ARGLU1, G3BP1, G3BP2 GRN 3138/4885SORT1 3587/4885LMNA 4628/4885
US-10975287-B2 Heterocyclic amides useful as protein modulators ARGLU1, G3BP1, G3BP2 GRN 3138/4885SORT1 3587/4885LMNA 4628/4885

“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.