SCHEMBL720764

SCHEMBL720764

Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 2/20 0.46
MERTK Q12866 1/20 0.41
PDE7A Q13946 1/20 0.39
F10 P00742 1/20 0.38
ABCC1 P33527 1/20 0.37
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
PGR P06401 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TEAD4 Q15561 1/20 0.35
GCGR P47871 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL718249 0.99 RCE1 (0.44) RCE1MERTKPDE7AF10ABCC1
SCHEMBL720271 0.88 ALDH1A1 (0.41) RXFP1TP53MAPTKDM4ENPC1
SCHEMBL718060 0.86 P4HTM (0.40) RCE1PDE7AABCC1PRNPRXFP1
SCHEMBL14905693 0.86 RCE1 (0.45) RCE1MERTKPDE7APOLBKDM4E
SCHEMBL14905709 0.86 RCE1 (0.45) RCE1MERTKPDE7A
SCHEMBL720571 0.86 GCGR (0.53) GCGR
SCHEMBL718541 0.85 RCE1 (0.46) RCE1MERTKPDE7AF10ABCC1
SCHEMBL719013 0.85 GCGR (0.37) RCE1PDE7AABCC1PGRGCGR
SCHEMBL719453 0.85 RCE1 (0.60) RCE1MERTKPDE7ATP53KDM4E
SCHEMBL720038 0.85 GCGR (0.53) GCGR

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 2661/4885MERTK 3340/4885PDE7A 2449/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885MERTK 3340/4885PDE7A 2449/4885

“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.