SCHEMBL5758484

SCHEMBL5758484

O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Cl)cc3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
AR P10275 13/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HSD17B3 P37058 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SRC P12931 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL5760140 0.88 MCL1 (0.47) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL5865877 0.86 MCL1 (0.51) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL6106092 0.85 CYP1A1 (0.43) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL5756955 0.83 AR (0.55) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL6213700 0.82 MCL1 (0.48) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL5860189 0.82 AR (0.41) MCL1ARCYP1A1CYP1A2CYP1B1
SCHEMBL5763574 0.82 HTT (0.50) ARCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL5761750 0.81 KDM4E (0.46) ARCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL6106075 0.81 L3MBTL1 (0.50) ARKDM4EMEN1ALDH1A1HPGD
SCHEMBL6106621 0.81 L3MBTL1 (0.50) ARKDM4EMEN1ALDH1A1HPGD

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 disclosed
US-7057048-B2 Androgen receptor antagonists WARNER LAMBERT COMPANY LLC (US) 2006-06-06 US disclosed
EP-1633732-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2006-03-15 EP disclosed
US-20050137228-A1 Benzyl sulfonamide derivatives DU DANIEL Y (US) 2005-06-23 US disclosed
US-20050085466-A1 Androgen receptor antagonists DU DANIEL Y (US) 2005-04-21 US disclosed
WO-2004101544-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-11-25 WO 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 (2 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-20050085466-A1 Androgen receptor antagonists AR, NR5A1, ESRRB MCL1 4676/4885AR 1/4885CYP1A1 370/4885
US-20050137228-A1 Benzyl sulfonamide derivatives AR, SHBG, BRDT MCL1 4501/4885AR 1/4885CYP1A1 385/4885

“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.