SCHEMBL531701

SCHEMBL531701

CCS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)O2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
MAPK1 P28482 1/20 0.67
PARP1 P09874 8/20 0.53
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
SMYD3 Q9H7B4 4/20 0.43
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL5967473 0.78 PARP1 (0.65) L3MBTL1MAPK1PARP1PDE3BPDE3A
SCHEMBL5967448 0.78 PARP1 (0.65) L3MBTL1MAPK1PARP1PDE3BPDE3A
SCHEMBL12235342 0.78 PARP1 (0.65) L3MBTL1MAPK1PARP1PDE3BPDE3A
SCHEMBL531791 0.78 ALDH1A1 (0.53) PARP1
SCHEMBL292432 0.77 PARP1 (0.60) L3MBTL1PARP1PDE3BPDE3ASMYD3
SCHEMBL532108 0.77 ALDH1A1 (0.52) PARP1
SCHEMBL532464 0.76 KDM4E (0.59)
SCHEMBL10130365 0.75 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3
SCHEMBL5670717 0.75 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3
SCHEMBL10130302 0.75 PARP1 (0.62) PARP1PDE3BPDE3ASMYD3

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 8 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
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 L3MBTL1 3475/4885MAPK1 2862/4885PARP1 1/4885

“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.