SCHEMBL5761863

SCHEMBL5761863

O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4ccccc4CNCC4CCCCC4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CNR1 P21554 1/20 0.38
NPY1R P25929 2/20 0.38
NPY5R Q15761 2/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL5861640 0.79 MCOLN3 (0.51) ARKDM4EPKMCNR1ALDH1A1
SCHEMBL5860121 0.79 MEN1 (0.45) ARPKMCNR1POLB
SCHEMBL5761619 0.79 AR (0.42) ARPKMPOLB
SCHEMBL5759940 0.76 POLB (0.62) ARPKMPOLBLMNATP53
SCHEMBL5761786 0.75 PKM (0.52) ARPKMPOLBMAPT
SCHEMBL6022448 0.74 AR (0.54) ARCNR1POLBTDP1
SCHEMBL5759527 0.74 SLC40A1 (0.56) LMNAALDH1A1TDP1MAPTNPSR1
SCHEMBL5761661 0.73 CLK1 (0.52) ARPKMLMNAALDH1A1TDP1
SCHEMBL5861392 0.73 PKM (0.46) ARPKMPOLBLMNA
SCHEMBL5860220 0.73 AR (0.39) ARCNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098340-B2 Quinoline/chromene derivatives as androgen antagonist WARNER LAMBERT COMPANY LLC (US) 2006-08-29 US claimed
EP-1633732-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2006-03-15 EP claimed
US-20050137228-A1 Benzyl sulfonamide derivatives DU DANIEL Y (US) 2005-06-23 US claimed
WO-2004101544-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-11-25 WO claimed
US-7098340-B2 Quinoline/chromene derivatives as androgen antagonist WARNER LAMBERT COMPANY LLC (US) 2006-08-29 US disclosed
US-20050137228-A1 Benzyl sulfonamide derivatives DU DANIEL Y (US) 2005-06-23 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-20050137228-A1 Benzyl sulfonamide derivatives AR, SHBG, BRDT AR 1/4885KDM4E 870/4885PKM 3273/4885

“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.