SCHEMBL718772

SCHEMBL718772

Cc1c(C(CC(C)C)Nc2ccccc2C(=O)NCCC(=O)O)oc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCG P01275 11/20 0.44
MCL1 Q07820 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL3397658 0.84 GCG (0.51) GCG
SCHEMBL3402110 0.82 CNR1 (0.39) GCGMCL1PTGS1PTGS2POLB
SCHEMBL3407767 0.76 LMNA (0.45) GCGMCL1PTGS2SMN1; SMN2KDM4E
SCHEMBL719589 0.76 NPC1 (0.48) PTGS1PTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3400803 0.76 NPC1 (0.47) PTGS1PTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL720851 0.75 GCG (0.54) GCGNPC1RAB9A
SCHEMBL721057 0.75 MAOB (0.41) GCGPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL716872 0.74 MCL1 (0.47) MCL1POLBKDM4EALDH1A1NPC1
SCHEMBL719401 0.73 MCL1 (0.38) GCGMCL1POLBSMN1; SMN2KDM4E
SCHEMBL718505 0.73 NPC1 (0.42) PTGS1PTGS2SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885MCL1 900/4885PTGS1 674/4885

“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.