SCHEMBL23680942

SCHEMBL23680942

CCC1(c2ccc(F)cc2)CCC1OC(=O)[C@H](C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.32
HCRTR1 O43613 3/20 0.32
KCNH2 Q12809 2/20 0.32
HCRTR2 O43614 2/20 0.32
MET P08581 4/20 0.32
MAOA P21397 2/20 0.31
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
AXL P30530 3/20 0.31
KCNA3 P22001 1/20 0.31
AURKA O14965 1/20 0.31
RIPK2 O43353 1/20 0.31
ABCB11 O95342 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL29501751 1.00 TSHR (0.33) TSHRHSD11B1HCRTR1KCNH2HCRTR2
SCHEMBL23680946 0.92 TSHR (0.32) TSHRHSD11B1HCRTR1KCNH2HCRTR2
SCHEMBL29501789 0.92 TSHR (0.32) TSHRHSD11B1HCRTR1KCNH2HCRTR2
SCHEMBL23680933 0.90 ITGA4 (0.34) TSHRMAOAAXLKCNA3ITGB1
SCHEMBL29501749 0.88 MET (0.33) TSHRHCRTR1KCNH2METMAOA
SCHEMBL29501723 0.88 MET (0.33) TSHRHCRTR1KCNH2METMAOA
SCHEMBL23680940 0.88 MET (0.33) TSHRHCRTR1KCNH2METMAOA
SCHEMBL23680929 0.88 MET (0.33) TSHRHCRTR1KCNH2METMAOA
SCHEMBL23680926 0.85 MET (0.32) TSHRHCRTR1KCNH2METMAOA
SCHEMBL29501743 0.85 MET (0.32) TSHRHCRTR1KCNH2METMAOA

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-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 TSHR 3071/4885HSD11B1 1953/4885HCRTR1 118/4885

“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.