SCHEMBL532616

SCHEMBL532616

O=C1COc2ccc(S(=O)(=O)N3CCCCC3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
POLB P06746 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
RXFP1 Q9HBX9 1/20 0.63
PKM P14618 2/20 0.61
KMT2A Q03164 4/20 0.61
NR3C2 P08235 2/20 0.59
CASP3 P42574 2/20 0.54
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL532240 0.99 GAA (0.65) GAAPOLBTP53MAPTTHRB
SCHEMBL531848 0.88 RXFP1 (0.65) GAAPOLBMAPTRXFP1PKM
SCHEMBL23815603 0.85 POLB (0.59) GAAPOLBRXFP1PKMKMT2A
SCHEMBL29893671 0.80 PKM (0.59) GAAPOLBMAPTRXFP1PKM
SCHEMBL1970405 0.80 PKM (0.59) GAAPOLBMAPTRXFP1PKM
SCHEMBL26491567 0.80 EPHX2 (0.68) KMT2ARAB9AMEN1LMNA
SCHEMBL707964 0.77 PKM (0.59) GAAPOLBMAPTPKMKMT2A
SCHEMBL1744758 0.77 PKM (0.59) PKMKMT2ANR3C2MEN1LMNA
SCHEMBL707711 0.77 SMN1; SMN2 (0.62) GAAPOLBRXFP1PKMKMT2A
SCHEMBL30197829 0.77 SMN1; SMN2 (0.62) GAAPOLBRXFP1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 GAA 551/4885POLB 25/4885TP53 344/4885

“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.