SCHEMBL5058599

SCHEMBL5058599

COC(=O)c1cc(N)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CFTR P13569 2/20 0.38
ABL1 P00519 1/20 0.38
DRD2 P14416 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL8106855 0.79 KMT2A (0.52) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9430929 0.79 KDM4E (0.38) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL8661938 0.79 KDM4E (0.36) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5058510 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTPOLBLMNA
SCHEMBL570110 0.78 GAA (0.61) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7627705 0.77 MAPT (0.44) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL17422752 0.77 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDCASP1
SCHEMBL8661939 0.77 GAA (0.46) GAAKDM4EALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL15488205 0.77 GAA (0.59) GAAKDM4EALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL7564049 0.77 GAA (0.59) GAAKDM4EALDH1A1MAPTHSD17B10

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-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 GAA 1233/4885KDM4E 2518/4885ALDH1A1 3519/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 GAA 1233/4885KDM4E 2518/4885ALDH1A1 3519/4885

“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.