SCHEMBL5065305

SCHEMBL5065305

CC(=O)c1ccc(N2CCOCC2)c(F)c1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
PRKDC P78527 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.44
SLC6A5 Q9Y345 3/20 0.44
RAB9A P51151 3/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A9 P48067 3/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5054924 0.82 PRKDC (0.54) ALDH1A1PRKDCSMN1; SMN2LMNATSHR
SCHEMBL5054794 0.82 PRKDC (0.54) ALDH1A1PRKDCSMN1; SMN2LMNAMAPT
SCHEMBL1237577 0.78 ALDH1A1 (0.61) ALDH1A1PRKDCSMN1; SMN2LMNATSHR
SCHEMBL4125688 0.76 PRKDC (0.47) ALDH1A1PRKDCLMNAMAPTHPGD
SCHEMBL30798758 0.76 HPGD (0.45) ALDH1A1SMN1; SMN2LMNATSHRMAPT
SCHEMBL13209667 0.75 CTSB (0.54) ALDH1A1PRKDCSMN1; SMN2LMNATSHR
SCHEMBL5059582 0.75 ALDH1A1 (0.74) ALDH1A1PRKDCSMN1; SMN2LMNATSHR
SCHEMBL1286677 0.73 ALDH1A1 (0.55) ALDH1A1PRKDCMAPTHPGDHTT
SCHEMBL18412927 0.72 ALDH1A1 (0.55) ALDH1A1PRKDCSMN1; SMN2LMNATSHR
SCHEMBL78016 0.72 MAPT (0.58) ALDH1A1PRKDCSMN1; SMN2MAPTHTT

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 ALDH1A1 3519/4885PRKDC 17/4885SMN1; SMN2 4435/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ALDH1A1 3519/4885PRKDC 17/4885SMN1; SMN2 4435/4885

“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.