SCHEMBL718541

SCHEMBL718541

Cc1sc2ccccc2c1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
PDE7A Q13946 1/20 0.39
MERTK Q12866 1/20 0.39
F10 P00742 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ABCC1 P33527 1/20 0.37
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
PGR P06401 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TEAD4 Q15561 1/20 0.35
GCGR P47871 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL719331 0.86 GCGR (0.53) GCGR
SCHEMBL720764 0.85 RCE1 (0.46) RCE1PDE7AMERTKF10TP53
SCHEMBL719577 0.85 GCGR (0.37) RCE1TP53POLBMAPTABCC1
SCHEMBL718249 0.84 RCE1 (0.44) RCE1PDE7AMERTKF10TP53
SCHEMBL719002 0.78 RCE1 (0.52) RCE1MERTKMAPTPGRKDM4E
SCHEMBL718796 0.77 RCE1 (0.53) RCE1MERTKHTR1ES1PR3PGR
SCHEMBL3109922 0.76 RCE1 (0.52) RCE1PDE7APOLBMAPTHTR1E
SCHEMBL3099322 0.76 RCE1 (0.53) RCE1PDE7ATEAD4
SCHEMBL719453 0.74 RCE1 (0.60) RCE1PDE7AMERTKTP53KDM4E
SCHEMBL3110114 0.74 RCE1 (0.45) RCE1PDE7APOLBMAPTPGR

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885PDE7A 2449/4885MERTK 3340/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885PDE7A 2449/4885MERTK 3340/4885

“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.