Sugi Predict

Sugi Predict / Compounds / SCHEMBL7088040

SCHEMBL7088040

SCHEMBL7088040

Cc1cccc(C(C#N)O[Si](C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.41
▸ AOC3 Q16853 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ ACP3 P15309 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ AR P10275 2/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 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
SCHEMBL3830094 0.82 GAA (0.39) GAAALDH1A1L3MBTL1AOC3ACP3
SCHEMBL11038956 0.82 IDO1 (0.38) AOC3ACHE
SCHEMBL29237408 0.82 CTSB (0.31) —
SCHEMBL5479093 0.81 AOC3 (0.45) GAAALDH1A1L3MBTL1TAAR1AOC3
SCHEMBL2610137 0.81 L3MBTL1 (0.42) ALDH1A1L3MBTL1AOC3ACHEHPGD
SCHEMBL2610138 0.80 TRPA1 (0.42) GAAALDH1A1L3MBTL1NPC1HPGD
SCHEMBL3295316 0.80 TRPA1 (0.42) GAAALDH1A1L3MBTL1NPC1HPGD
SCHEMBL7089384 0.79 ALDH1A1 (0.39) GAAALDH1A1L3MBTL1ACHENPC1
SCHEMBL9304481 0.78 ALDH1A1 (0.47) GAAALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11039690 0.78 PNMT (0.44) GAAACP3SOS1

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-101885742-B Chiral diphosphorodiamidate compound and synthesis method thereof UNIV HEFEI TECHNOLOGY 2013-01-09 — — CN disclosed
CN-101962391-B Chiral phosphorus compound UNIV HEFEI TECHNOLOGY 2012-09-26 — — CN disclosed
CN-101973952-A Chiral oxazoline and synthetic method thereof UNIV HEFEI TECHNOLOGY 2011-02-16 — — CN disclosed
CN-101962391-A Chiral phosphorus compound UNIV HEFEI TECHNOLOGY 2011-02-02 — — CN disclosed
CN-101885742-A Chiral diphosphorodiamidate compound and synthesis method thereof UNIV HEFEI TECHNOLOGY 2010-11-17 — — CN disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 — — US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 — — US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 — — 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 GAA 4611/4885ALDH1A1 112/4885L3MBTL1 1329/4885

“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.