SCHEMBL5861640

SCHEMBL5861640

O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4ccccc4N4CCCCC4)cc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
PKM P14618 2/20 0.51
AR P10275 4/20 0.48
DNMT1 P26358 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 3/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN1 Q9GZU1 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL5762853 0.83 L3MBTL1 (0.51) MCOLN3L3MBTL1PKMDNMT1CASP6
SCHEMBL5860121 0.83 MEN1 (0.45) PKMARCNR1MEN1KMT2A
SCHEMBL5761619 0.83 AR (0.42) PKMAR
SCHEMBL5761863 0.79 AR (0.42) PKMARTDP1CNR1KDM4E
SCHEMBL6105300 0.79 AR (0.53) ARCNR1GAAKDM4EALDH1A1
SCHEMBL6105506 0.79 AR (0.53) ARCNR1GAAKDM4EALDH1A1
SCHEMBL5761786 0.78 PKM (0.52) PKMAR
SCHEMBL5762031 0.78 PARP1 (0.52) ARCNR1GAAKDM4E
SCHEMBL6108419 0.78 AR (0.54) ARCNR1GAAKDM4EALDH1A1
SCHEMBL5759527 0.78 SLC40A1 (0.56) TDP1MEN1KMT2AALDH1A1

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 4 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
US-20050137228-A1 Benzyl sulfonamide derivatives DU DANIEL Y (US) 2005-06-23 US 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 MCOLN3 2947/4885L3MBTL1 4663/4885PKM 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.