SCHEMBL12059552

SCHEMBL12059552

CCc1ccc(SC)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TRPA1 O75762 1/20 0.35
PYCR1 P32322 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
PDK2 Q15119 1/20 0.34
CCR2 P41597 1/20 0.33
AR P10275 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13461854 0.84 IDO1 (0.37) IDO1PYCR1CCR2ARADRA2A
SCHEMBL3491800 0.84 KIF11 (0.44) IDO1PYCR1PDK2CCR2AR
SCHEMBL3490684 0.84 IDO1 (0.40) IDO1PYCR1CCR2ARADRA2A
SCHEMBL13461942 0.84 IDO1 (0.37) IDO1PYCR1CCR2ARADRA2A
SCHEMBL17295109 0.81 IDO1 (0.35) IDO1PYCR1CCR2ARADRA2A
SCHEMBL2092880 0.80 IDO1 (0.44) IDO1PYCR1CCR2ARADRA2A
SCHEMBL10299806 0.79 AR (0.48) AR
SCHEMBL5023454 0.79 AR (0.48) AR
SCHEMBL3245823 0.78 RXRA (0.44) IDO1TRPA1PYCR1FFAR4SIGMAR1
SCHEMBL257060 0.77 IDO1 (0.61) IDO1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO IDO1 1547/4885TRPA1 293/4885PYCR1 2043/4885

“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.