SCHEMBL31555352

SCHEMBL31555352

Cc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
DGAT1 O75907 3/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDK2 Q15119 1/20 0.36
MAOB P27338 2/20 0.36
TDO2 P48775 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK14 Q16539 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL25319004 1.00 PTGS2 (0.44) PTGS2DGAT1PDE3BPDE3ADRD2
SCHEMBL31097874 1.00 PTGS2 (0.44) PTGS2DGAT1PDE3BPDE3ADRD2
SCHEMBL15959129 0.86 CYP2A6 (0.45) PTGS2DGAT1TDO2PTGS1SLC22A12
SCHEMBL31351710 0.83 FFAR4 (0.43) PTGS2DGAT1DRD2DRD3PTGS1
SCHEMBL1805795 0.83 CYP11B1 (0.48) PTGS2PDE3BPDE3ADRD2DRD3
SCHEMBL12660790 0.82 DRD2 (0.41) PTGS2DRD2DRD3HSD11B1CA1
SCHEMBL1805846 0.81 SMN1; SMN2 (0.44) PTGS2DRD2DRD3KMT2APTGS1
SCHEMBL27881016 0.80 SLC2A1 (0.47) PTGS2PDE3BPDE3ADRD2DRD3
SCHEMBL752015 0.80 CXCR2 (0.39) PTGS2DRD2DRD3HSD11B1KMT2A
SCHEMBL15613700 0.76 PTGS2 (0.48) PTGS2DRD2DRD3PTGS1

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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA PTGS2 441/4885DGAT1 1559/4885PDE3B 345/4885

“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.