SCHEMBL380968

SCHEMBL380968

CC(C)(C)[Si](C)(C)OCC[C@](O)(CN)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.33
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
DUT P33316 2/20 0.31
CYP19A1 P11511 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL381235 0.82 APLNR (0.32)
SCHEMBL4145269 0.76 SMN1; SMN2 (0.36) KCNN4DUTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27479096 0.73 KIF11 (0.36) DUTCYP19A1TSHR
SCHEMBL7496230 0.73 KIF11 (0.36) DUTCYP19A1TSHR
SCHEMBL4156016 0.72 CYP2C19 (0.36) KCNN4DUTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4162282 0.70 CYP1A2 (0.34) DUTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL445354 0.70 IDO1 (0.31)
SCHEMBL445353 0.70 IDO1 (0.31)
SCHEMBL1245973 0.69 ELOVL1 (0.41) DUT
SCHEMBL6595567 0.68 GABBR2 (0.40) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 KCNN4 141/4885USP2 2694/4885RAB9A 3525/4885

“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.