SCHEMBL717586

SCHEMBL717586

CCC(CC)C(=O)c1sc2ccccc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
PRNP P04156 1/20 0.52
HSD11B1 P28845 1/20 0.51
LIMK1 P53667 2/20 0.48
IKBKB O14920 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
OGG1 O15527 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
MAOB P27338 1/20 0.42

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
Hydrochloric Acid SCHEMBL7984560 0.88 PRNP (0.45) RXFP1PRNPHSD11B1LIMK1IKBKB
Hydrochloric Acid SCHEMBL7980629 0.82 PRNP (0.48) RXFP1PRNPHSD11B1LIMK1IKBKB
Hydrochloric Acid SCHEMBL7987838 0.80 TBXAS1 (0.47) RXFP1PRNPHSD11B1ALDH1A1KMT2A
SCHEMBL13963145 0.79 HSD11B1 (0.62) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL2702750 0.78 LIMK1 (0.68) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL29483598 0.78 LIMK1 (0.68) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL16598796 0.78 RXFP1 (0.73) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL7984156 0.78 HSD11B1 (0.61) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL4775261 0.78 HSD11B1 (0.61) RXFP1PRNPHSD11B1LIMK1IKBKB
SCHEMBL7971228 0.77 PRNP (0.43) RXFP1PRNPHSD11B1LIMK1IKBKB

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

“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.