SCHEMBL6499194

SCHEMBL6499194

CC(C)c1csc(COc2cc3c(cc2F)c(=O)c(C(=O)O)c(N2CCOCC2)n3C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKD3 O94806 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CSNK1G3 Q9Y6M4 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31

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
SCHEMBL6498293 0.92 ALDH1A1 (0.39) PIK3CAGAAALDH1A1HPGDHSD17B10
SCHEMBL5908617 0.88 PRKD3 (0.35) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL5908741 0.81 KDM4E (0.39) PIK3CAGAAALDH1A1HPGDHSD17B10
SCHEMBL6429499 0.78 KDM4E (0.47) PIK3CAPIK3CGLMNAALDH1A1HPGD
SCHEMBL6501448 0.74 KDM4E (0.34) PIK3CAPIK3CGALOX5APLMNAGAA
SCHEMBL6504089 0.74 KDM4E (0.34) PIK3CAPIK3CGALOX5APLMNAGAA
SCHEMBL6501442 0.74 KDM4E (0.34) PIK3CAPIK3CGALOX5APLMNAGAA
SCHEMBL5779740 0.73 ADRB2 (0.42) PIK3CAPIK3CGLMNAALDH1A1HPGD
SCHEMBL5777334 0.72 RET (0.33) LMNAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5908263 0.70 ALDH1A1 (0.51) PIK3CALMNAGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 — — US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 PIK3CA 1712/4885PIK3CG 1677/4885PRKD3 2633/4885

“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.

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