SCHEMBL839688

SCHEMBL839688

CC(C)(C)[Si](OCCOC[C@H](O)C(=O)Nc1ccc(F)cn1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.38
CXCR2 P25025 2/20 0.38
GCK P35557 5/20 0.37
KCNH2 Q12809 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
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
SCHEMBL839689 1.00 FFAR2 (0.38) FFAR2CXCR2GCKKCNH2TDP1
SCHEMBL838731 0.89 RAB9A (0.40) GCKKCNH2ALDH1A1RAB9ANPC1
SCHEMBL838730 0.89 RAB9A (0.40) GCKKCNH2ALDH1A1RAB9ANPC1
SCHEMBL838444 0.89 TDP1 (0.43) TDP1ALDH1A1RAB9AHTTMAPK1
SCHEMBL838445 0.89 TDP1 (0.43) TDP1ALDH1A1RAB9AHTTMAPK1
SCHEMBL839957 0.86 ALDH1A1 (0.44) FFAR2ALDH1A1RAB9ANPC1
SCHEMBL839958 0.86 ALDH1A1 (0.44) FFAR2ALDH1A1RAB9ANPC1
SCHEMBL838905 0.86 GCK (0.38) GCKKCNH2
SCHEMBL838904 0.86 GCK (0.38) GCKKCNH2
SCHEMBL838897 0.80 CYP3A4 (0.38) ALDH1A1CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 FFAR2 1155/4885CXCR2 3613/4885GCK 1/4885

“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.