SCHEMBL4565723

SCHEMBL4565723

Nc1ccc2c(O)cc(C(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.54
PTPN11 Q06124 2/20 0.54
NSD2 O96028 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
SLC6A2 P23975 1/20 0.54
P2RY14 Q15391 1/20 0.54
PLAU P00749 1/20 0.50
PRMT1 Q99873 1/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PTGS2 P35354 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL5735509 0.86 PRMT1 (0.59) CASP6PTPN11NSD2DUSP3PTPN5
SCHEMBL27360806 0.85 SLC6A2 (0.59) PTPN11SLC6A2P2RY14PRMT1MAPT
SCHEMBL3420178 0.81 SLC6A2 (0.56) PTPN11SLC6A2P2RY14PRMT1MAPT
SCHEMBL2186294 0.79 SLC6A2 (0.54) SLC6A2P2RY14PRMT1MAPTKDM4E
SCHEMBL12193501 0.79 SLC6A2 (0.54) SLC6A2P2RY14PRMT1MAPTKDM4E
SCHEMBL9119115 0.78 PTPN1 (0.53) PLAUMAPTKDM4EALDH1A1TDP1
SCHEMBL4395647 0.77 LMNA (0.55) CASP6PTPN11NSD2DUSP3PTPN5
SCHEMBL163553 0.76 PRMT1 (0.56) SLC6A2P2RY14PRMT1MAPTKDM4E
SCHEMBL30514356 0.75 BCL2L1 (0.67) PTPN11SLC6A2P2RY14PRMT1MAPT
SCHEMBL21979549 0.75 BCL2L1 (0.67) PTPN11SLC6A2P2RY14PRMT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-10 US disclosed
US-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-10 US disclosed
US-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-10 US disclosed
WO-2007149782-A2 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2007-12-27 WO disclosed
WO-2007149782-A2 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2007-12-27 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 (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-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES TYMP, PCNA, TK1 CASP6 4050/4885PTPN11 3419/4885NSD2 1677/4885

“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.