SCHEMBL531848

SCHEMBL531848

O=C1COc2ccc(S(=O)(=O)N3CCOCC3)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.65
GAA P10253 2/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 5/20 0.60
PKM P14618 2/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 1/20 0.57
NR3C2 P08235 2/20 0.53
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.52

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 0.90 GAA (0.65) RXFP1GAAPOLBKMT2APKM
SCHEMBL532616 0.88 GAA (0.64) RXFP1GAAPOLBKMT2APKM
SCHEMBL23815603 0.81 POLB (0.59) RXFP1GAAPOLBKMT2APKM
SCHEMBL1970405 0.79 PKM (0.59) RXFP1GAAPOLBKMT2APKM
SCHEMBL29893671 0.79 PKM (0.59) RXFP1GAAPOLBKMT2APKM
SCHEMBL532464 0.77 KDM4E (0.59) GAAPOLBKMT2AALDH1A1MAPT
SCHEMBL707711 0.76 SMN1; SMN2 (0.62) RXFP1GAAPOLBKMT2APKM
SCHEMBL707964 0.76 PKM (0.59) GAAPOLBKMT2APKMALDH1A1
SCHEMBL1744758 0.76 PKM (0.59) KMT2APKMALDH1A1MAPK1NR3C2
SCHEMBL24296226 0.76 PKM (0.71) GAAPOLBKMT2APKMALDH1A1

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 RXFP1 4112/4885GAA 551/4885POLB 25/4885

“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.