SCHEMBL1774844

SCHEMBL1774844

COc1ccc(C#Cc2csc(C3CCN(C(=O)Cn4nc(C(F)(F)F)cc4C)CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.46
GAA P10253 2/20 0.42
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM3 Q14832 1/20 0.36
FAAH O00519 1/20 0.35
PTGER1 P34995 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
SCHEMBL1773818 0.86 CCR1 (0.48) CCR1GAAPOLBALDH1A1TP53
SCHEMBL1773621 0.85 CYP1A2 (0.45) CCR1GAAPOLB
SCHEMBL25757623 0.85 GAA (0.48) CCR1GAAPOLBTP53L3MBTL1
SCHEMBL1773959 0.85 GAA (0.46) CCR1GAAPOLBALDH1A1TP53
SCHEMBL1773574 0.84 GAA (0.48) CCR1GAAPOLBTP53L3MBTL1
SCHEMBL1773839 0.83 POLB (0.44) CCR1GAAPOLBALDH1A1
SCHEMBL1773356 0.82 GAA (0.42) CCR1GAAPOLB
SCHEMBL1228464 0.79 GAA (0.51) CCR1GAAPOLBTP53L3MBTL1
SCHEMBL20801744 0.79 GAA (0.51) CCR1GAAPOLBTP53L3MBTL1
SCHEMBL3685684 0.79 FAAH (0.60) FAAH

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-7943774-B2 Heterocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 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-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents CYP8B1, CYP51A1, HPD CCR1 2946/4885GAA 217/4885POLB 4164/4885

“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.