SCHEMBL13633350

SCHEMBL13633350

CC(O)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
DRD3 P35462 2/20 0.41
CYP2D6 P10635 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRM4 Q14833 1/20 0.41
UGT2B7 P16662 1/20 0.40
CYP3A4 P08684 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39

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
SCHEMBL3925212 1.00 MEN1 (0.41) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL12089542 0.87 EIF4A3 (0.47) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL16398486 0.85 HSD17B10 (0.43) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL31280455 0.85 HSD17B10 (0.43) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL9853831 0.82 HSD17B10 (0.58) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL3915626 0.81 ALDH1A1 (0.42) MEN1KMT2AHSD17B10SLC6A4UGT2B7
SCHEMBL21064545 0.81 LMNA (0.45) KMT2AHSD17B10CYP3A4HPGDKDM4E
SCHEMBL13777032 0.81 ALDH1A1 (0.42) MEN1KMT2AHSD17B10SLC6A4UGT2B7
SCHEMBL14381820 0.79 KDM4E (0.61) MEN1KMT2AHSD17B10TDP1CYP2C9
SCHEMBL31085123 0.78 UGT2B7 (0.40) MEN1KMT2AHSD17B10TDP1UGT2B7

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-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-11-12 US disclosed
US-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-11-12 US disclosed
US-20090181951-A1 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-16 US disclosed
US-20090181951-A1 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-16 US disclosed
WO-2007144637-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144652-A2 PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 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-20090281086-A1 2 -OXYHETEROARYLAMIDE DERIVATIVES AS PARP INHIBITORS PARP2, PARP3, PARP11 MEN1 1711/4885KMT2A 973/4885HSD17B10 380/4885
US-20090181951-A1 PARP INHIBITORS PARP2, PARP3, PARP1 MEN1 808/4885KMT2A 2114/4885HSD17B10 1264/4885

“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.