SCHEMBL13995366

SCHEMBL13995366

CCCCc1ccc(S(C)(=O)=O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
PTGS2 P35354 5/20 0.41
PTGS1 P23219 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
S1PR1 P21453 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
BRD4 O60885 1/20 0.39
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 2/20 0.38
ESR1 P03372 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ALOX5 P09917 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
SCHEMBL13995352 0.91 NR1H2 (0.48) KIF11PTGS2PTGS1NR1H2NR1H3
SCHEMBL13995370 0.88 PTGDR2 (0.42) NR1H2NR1H3S1PR1PTGDR2CA2
SCHEMBL12875596 0.85 KIF11 (0.49) KIF11PTGS2NR1H2NR1H3PTGDR2
SCHEMBL12406512 0.81 S1PR1 (0.48) S1PR1CA2ALOX5
SCHEMBL1190580 0.81 KIF11 (0.47) KIF11PTGS2PTGS1NR1H2NR1H3
SCHEMBL3710331 0.80 KIF11 (0.46) KIF11PTGS2NR1H2NR1H3PTGDR2
SCHEMBL1191536 0.80 KIF11 (0.46) KIF11PTGS2PTGS1NR1H2NR1H3
SCHEMBL31716134 0.80 KIF11 (0.46) KIF11PTGS2PTGS1NR1H2NR1H3
SCHEMBL13995361 0.78 PTGDR2 (0.43) NR1H2NR1H3PTGDR2BRD4
SCHEMBL13995384 0.77 KIF11 (0.44) KIF11PTGS2PTGS1NR1H2NR1H3

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-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 KIF11 2496/4885PTGS2 2670/4885PTGS1 1850/4885

“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.