SCHEMBL718282

SCHEMBL718282

CCC(CC)C(Nc1ccc(C(=O)O)cc1)c1sc2ccccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
RCE1 Q9Y256 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HSD11B1 P28845 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 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
SCHEMBL718977 0.89 MAPT (0.43) GCGRCA1CA2RXFP1MAPT
SCHEMBL718054 0.86 GCGR (0.58) GCGRLMNA
SCHEMBL717968 0.81 GCGR (0.47) GCGRRXFP1MAPTTP53KMT2A
SCHEMBL719433 0.80 MAPT (0.36) GCGRRXFP1MAPTTP53TDP1
SCHEMBL719032 0.80 GCGR (0.38) GCGRCA12CA1CA2CA9
SCHEMBL3396950 0.79 CNR2 (0.38) CA12CA1CA2CA9RXFP1
SCHEMBL718249 0.76 RCE1 (0.44) GCGRCA12CA1CA2CA9
SCHEMBL720764 0.75 RCE1 (0.46) GCGRCA12CA1CA2CA9
SCHEMBL3399857 0.73 GCGR (0.49) GCGRRXFP1PRNPMAPTTP53
SCHEMBL722249 0.69 MAPT (0.43) CA1CA2RXFP1MAPTTP53

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 GCGR 90/4885CA12 1685/4885CA1 2571/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885CA12 1685/4885CA1 2571/4885

“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.