SCHEMBL718477

SCHEMBL718477

Cc1c(C(=O)CC(C)C)sc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
RXFP1 Q9HBX9 2/20 0.52
PRNP P04156 1/20 0.52
LIMK1 P53667 2/20 0.44
OGG1 O15527 1/20 0.44
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 1/20 0.41
IKBKB O14920 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL13963145 0.82 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL4834908 0.82 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL7984156 0.81 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL4775261 0.81 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL2099000 0.81 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL14380707 0.81 HSD11B1 (0.61) HSD11B1RXFP1PRNPLIMK1OGG1
Hydrochloric Acid SCHEMBL4775352 0.79 HSD11B1 (0.59) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL7984329 0.78 HSD11B1 (0.62) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL16598796 0.78 RXFP1 (0.73) HSD11B1RXFP1PRNPLIMK1OGG1
SCHEMBL7971230 0.77 HSD11B1 (0.48) HSD11B1RXFP1PRNPLIMK1OGG1

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 HSD11B1 281/4885RXFP1 3336/4885PRNP 4867/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HSD11B1 281/4885RXFP1 3336/4885PRNP 4867/4885

“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.