SCHEMBL578536

SCHEMBL578536

C[Si](C)(C)CCOC(=O)c1ccc2cncc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
STS P08842 2/20 0.31
POLB P06746 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NQO2 P16083 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDR P35968 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 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
SCHEMBL15178014 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4893119 0.84 NOTUM (0.41) ALDH1A1KDM4EL3MBTL1NQO2MAPT
SCHEMBL10138249 0.81 HSD11B1 (0.40) ALDH1A1KDM4EHPGDHSD11B1KMT2A
SCHEMBL4731824 0.81 SLC22A12 (0.43) KDM4ERAB9AHSD11B1L3MBTL1SMN1; SMN2
SCHEMBL1316267 0.78 KDM4E (0.39) ALDH1A1KDM4EKMT2ASMN1; SMN2POLB
SCHEMBL20746284 0.76 RAB9A (0.33) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6163867 0.74 NCEH1 (0.39) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL578747 0.72 SLC22A12 (0.46) ALDH1A1SMN1; SMN2CYP2C19KDR
SCHEMBL578953 0.72 SLC22A12 (0.45) HSD17B10RAB9ANPC1SMN1; SMN2POLB
SCHEMBL578441 0.71 CYP11B1 (0.45) L3MBTL1CYP2C9CYP2C19

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
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 ALDH1A1 2092/4885KDM4E 1704/4885HPGD 3481/4885
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 ALDH1A1 3358/4885KDM4E 2190/4885HPGD 2859/4885

“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.