SCHEMBL25935332

SCHEMBL25935332

Cc1ccc(-c2ccc(N3CCC(O)(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)c(F)c2)c(OCc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
ENPP2 Q13822 2/20 0.36
ATXN2 Q99700 2/20 0.36
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
RORC P51449 1/20 0.32
GRM5 P41594 1/20 0.32
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
EPHX1 P07099 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL25819445 0.93 ROCK2 (0.38) ROCK2SMPD3FFAR4ENPP2ATXN2
SCHEMBL30135749 0.93 ENPP2 (0.36) ROCK2SMPD3FFAR4ENPP2ATXN2
SCHEMBL30135876 0.87 ROCK2 (0.36) ROCK2SMPD3FFAR4ENPP2ATXN2
SCHEMBL25935382 0.87 SMPD3 (0.41) ROCK2SMPD3FFAR4ENPP2ATXN2
SCHEMBL25819621 0.86 SMPD3 (0.40) ROCK2SMPD3FFAR4ENPP2ATXN2
SCHEMBL25301501 0.82 FFAR4 (0.35) FFAR4ENPP2CNR1CNR2GRM5
SCHEMBL25819407 0.82 FFAR4 (0.42) FFAR4CNR1CNR2GRM5
SCHEMBL25819403 0.80 FFAR4 (0.42) FFAR4CNR1GRM5
SCHEMBL25935098 0.80 SMPD3 (0.44) SMPD3FFAR4CNR1CNR2EPHX1
SCHEMBL30136109 0.79 DPP4 (0.37) ROCK2SMPD3FFAR4ENPP2ATXN2

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-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 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-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ROCK2 1042/4885SMPD3 2127/4885FFAR4 4754/4885

“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.