SCHEMBL13995352

SCHEMBL13995352

CCCc1ccc(S(C)(=O)=O)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
BRD4 O60885 2/20 0.46
KIF11 P52732 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.41
PTGS2 P35354 5/20 0.39
HRH4 Q9H3N8 2/20 0.38
ESR1 P03372 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL13995366 0.91 KIF11 (0.43) NR1H2NR1H3BRD4KIF11PTGDR2
SCHEMBL12875596 0.88 KIF11 (0.49) NR1H2NR1H3BRD4KIF11PTGDR2
SCHEMBL13995361 0.87 PTGDR2 (0.43) NR1H2NR1H3BRD4PTGDR2
SCHEMBL1190580 0.83 KIF11 (0.47) NR1H2NR1H3KIF11PTGDR2PTGS2
SCHEMBL1191536 0.82 KIF11 (0.46) NR1H2NR1H3KIF11PTGDR2PTGS2
SCHEMBL31716134 0.82 KIF11 (0.46) NR1H2NR1H3KIF11PTGDR2PTGS2
SCHEMBL3710331 0.82 KIF11 (0.46) NR1H2NR1H3KIF11PTGDR2PTGS2
SCHEMBL13995384 0.79 KIF11 (0.44) NR1H2NR1H3KIF11PTGDR2PTGS2
SCHEMBL13995370 0.78 PTGDR2 (0.42) NR1H2NR1H3PTGDR2
SCHEMBL12406512 0.75 S1PR1 (0.48)

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-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312229-A1 Organic Compounds DRD4, DRD1, SLC10A6 NR1H2 945/4885NR1H3 842/4885BRD4 2222/4885

“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.