SCHEMBL5054599

SCHEMBL5054599

O=c1c(O)c(-c2ccccc2)oc2cc(OS(=O)(=O)C(F)(F)F)cc(O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.65
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
CYP3A4 P08684 6/20 0.65
MAPT P10636 6/20 0.65
MAOA P21397 5/20 0.65
CYP1A1 P04798 5/20 0.65
CYP1A2 P05177 5/20 0.65
CYP1B1 Q16678 5/20 0.65
FTO Q9C0B1 5/20 0.65
XDH P47989 5/20 0.65
BCHE P06276 4/20 0.65
CYP2D6 P10635 4/20 0.65
CYP2C9 P11712 4/20 0.65
ACHE P22303 4/20 0.65
CYP2C19 P33261 4/20 0.65
CA12 O43570 3/20 0.65
PPARG P37231 3/20 0.65
CA7 P43166 3/20 0.65
TRPC5 Q9UL62 3/20 0.65

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
SCHEMBL7089208 0.83 PRKDC (0.54) ABCB1MEN1KMT2ACYP3A4MAPT
Izalpinin SCHEMBL7551775 0.82 MAOA (0.83) ABCB1MEN1KMT2ACYP3A4MAPT
Izalpinin SCHEMBL29974286 0.82 MAOA (0.83) ABCB1MEN1KMT2ACYP3A4MAPT
SCHEMBL5457154 0.81 MAOA (0.65) MAOAACHEMAOBPOLBMGAM
SCHEMBL5059689 0.81 MAPT (0.67) ABCB1MEN1KMT2ACYP3A4MAPT
SCHEMBL7088739 0.80 PRKDC (0.47) ABCB1MEN1KMT2ACYP3A4MAPT
Galangin SCHEMBL29393121 0.80 MEN1 (1.00) ABCB1MEN1KMT2ACYP3A4MAPT
Galangin SCHEMBL117225 0.80 MEN1 (1.00) ABCB1MEN1KMT2ACYP3A4MAPT
SCHEMBL28106758 0.78 MEN1 (0.67) ABCB1MEN1KMT2ACYP3A4MAPT
SCHEMBL119434 0.76 MEN1 (0.64) ABCB1MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
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-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-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-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 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
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 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 ABCB1 1078/4885MEN1 2946/4885KMT2A 1686/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ABCB1 1078/4885MEN1 2946/4885KMT2A 1686/4885

“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.