SCHEMBL3936699

SCHEMBL3936699

CC(C)[Si](Oc1cc(Nc2cccnc2)cc(-c2cccc(NS(C)(=O)=O)c2)c1)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 1/20 0.45
FYN P06241 1/20 0.43
CYP1A2 P05177 7/20 0.42
CYP3A4 P08684 7/20 0.42
CYP2D6 P10635 6/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SYK P43405 1/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS1 P23219 1/20 0.41
BRD4 O60885 2/20 0.41
PIP4K2A P48426 2/20 0.41
PIP4K2B P78356 2/20 0.41

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
SCHEMBL3929864 0.79 HSD17B1 (0.51) KCNA5KCNH2FYNCYP1A2CYP3A4
SCHEMBL3936896 0.76 AKT1 (0.39) ALDH1A1KDM4EHPGDKIF11MEN1
SCHEMBL3939566 0.74 PTGS1 (0.54) FYNCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4196597 0.69 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL790282 0.69 NAMPT (0.65) TSHRALDH1A1KDM4EPTGS1LMNA
SCHEMBL2822751 0.68 PIP4K2A (0.56) FYNCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3930224 0.68 PIP4K2A (0.62) FYNCYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL20502487 0.67 NAMPT (0.63) TSHRALDH1A1KDM4EPTGS1LMNA
SCHEMBL4187496 0.67 FYN (0.69) FYNPIP4K2APIP4K2BJAK2
SCHEMBL8118375 0.67 KCNA5 (0.49) KCNA5KCNH2FYNCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNA5 1694/4885KCNH2 2690/4885FYN 1524/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNA5 1717/4885KCNH2 2715/4885FYN 1515/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KCNA5 1667/4885KCNH2 2603/4885FYN 2423/4885

“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.