SCHEMBL5478563

SCHEMBL5478563

Nc1cccc(S(=O)(=O)Nc2ccccc2CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
PRMT1 Q99873 1/20 0.49
CYP19A1 P11511 1/20 0.49
PKM P14618 1/20 0.48
HTR6 P50406 1/20 0.48
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
SLC16A3 O15427 3/20 0.46
ALDH1A1 P00352 3/20 0.45
PTGES2 Q9H7Z7 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR2 P41597 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL13726900 0.86 POLB (0.55) POLBPRMT1CYP19A1PKMHTR6
SCHEMBL5470742 0.84 POLB (0.52) POLBPRMT1CYP19A1PKMHTR6
SCHEMBL17978501 0.79 POLB (0.62) POLBPKMHTR6F2PRSS1
SCHEMBL9329231 0.78 PTGES2 (0.51) POLBSLC16A3ALDH1A1PTGES2TSHR
SCHEMBL5472507 0.76 POLB (0.62) POLBPKMHTR6ALDH1A1TSHR
SCHEMBL17779177 0.76 TSHR (0.63) POLBPKMHTR6ALDH1A1PTGES2
SCHEMBL5480533 0.76 POLB (0.62) POLBPKMHTR6ALDH1A1SMN1; SMN2
SCHEMBL5470332 0.75 ALDH1A1 (0.60) POLBPKMHTR6F2PRSS1
SCHEMBL1956403 0.75 MEN1 (0.66) POLBPKMHTR6ALDH1A1HSD17B10
SCHEMBL17978457 0.75 KMT2A (0.59) POLBPKMHTR6ALDH1A1PTGES2

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 POLB 3320/4885PRMT1 898/4885CYP19A1 6/4885

“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.