SCHEMBL6540620

SCHEMBL6540620

NC(=NO)c1cccc(S(=O)(=O)c2ccc(CCN(CC(O)c3cccc(Cl)c3)C(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.40
F10 P00742 2/20 0.38
ADRB3 P13945 12/20 0.38
ADRB1 P08588 7/20 0.37
ADRB2 P07550 1/20 0.36
AKR1C3 P42330 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL6540612 1.00 BMP1 (0.40) BMP1F10ADRB3ADRB1ADRB2
SCHEMBL6540615 1.00 BMP1 (0.40) BMP1F10ADRB3ADRB1ADRB2
SCHEMBL6540609 1.00 BMP1 (0.40) BMP1F10ADRB3ADRB1ADRB2
SCHEMBL6552792 0.91 ADRB3 (0.40) ADRB3ADRB1ADRB2AKR1C3
SCHEMBL6539898 0.87 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL6539894 0.87 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL6541472 0.86 NAMPT (0.41) ADRB3ADRB1ADRB2
SCHEMBL6541467 0.86 NAMPT (0.41) ADRB3ADRB1ADRB2
SCHEMBL6540905 0.85 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6540908 0.85 ADRB3 (0.41) ADRB3ADRB1ADRB2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 BMP1 4625/4885F10 1442/4885ADRB3 58/4885

“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.