SCHEMBL6491522

SCHEMBL6491522

CC(C)(C)[Si](C)(C)OC(C#N)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL9290778 0.84 CYP19A1 (0.45) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9298473 0.83 TRPA1 (0.37) KDM4EGAAALDH1A1
SCHEMBL8965119 0.83 TRPA1 (0.37) KDM4EGAAALDH1A1
SCHEMBL7825330 0.83 TRPA1 (0.37) KDM4EGAAALDH1A1
SCHEMBL6283862 0.80 CFTR (0.41) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7808015 0.76 CFTR (0.40) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6597829 0.74 CCR1 (0.39) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL23354817 0.73 CFTR (0.38) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9537727 0.73 ALOX5 (0.33)
SCHEMBL9297323 0.73 ALDH1A1 (0.43) SMN1; SMN2KDM4EGAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2005-04-14 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1288213-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-03-05 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 (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-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD CYP19A1 121/4885CFTR 4695/4885SLC6A2 4218/4885

“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.