SCHEMBL4158380

SCHEMBL4158380

CCOC(=O)CC(=O)Nc1scc(C)c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAPK8 P45983 5/20 0.50
MAPK10 P53779 5/20 0.50
MAPK9 P45984 4/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 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
SCHEMBL5233999 0.89 POLB (0.54) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL13041354 0.87 NPSR1 (0.51) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL11468077 0.84 TP53 (0.62) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL26474681 0.84 ALDH1A1 (0.53) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL13019308 0.82 SMN1; SMN2 (0.54) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL20014923 0.82 MAPK1 (0.58) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL2989345 0.81 LMNA (0.51) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL3740328 0.81 PPARG (0.46) NPSR1ALDH1A1GAAMAPTMAPK8
SCHEMBL2897094 0.81 POLB (0.74) NPSR1ALDH1A1GAAMAPTTSHR
SCHEMBL1866493 0.81 PPARG (0.46) NPSR1ALDH1A1GAAMAPTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176825-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-09 US disclosed
US-7553849-B2 Compounds ACTIVE BIOTECH AB (SE) 2009-06-30 US disclosed
EP-1776369-B1 THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE ACTIVE BIOTECH AB (SE) 2007-10-10 EP disclosed
US-20060004038-A1 Novel compounds ACTIVE BIOTECH AB (SE) 2006-01-05 US 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-20060004038-A1 Novel compounds REL, CLIC4, C5 NPSR1 1423/4885ALDH1A1 3955/4885GAA 4880/4885
US-20090176825-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 NPSR1 1973/4885ALDH1A1 319/4885GAA 144/4885

“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.