SCHEMBL4169754

SCHEMBL4169754

CS(=O)(=O)Nc1cc(F)cc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
KEAP1 Q14145 1/20 0.41
KIF11 P52732 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
MAP2K1 Q02750 1/20 0.37
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1733478 0.86 BRD4 (0.49) BRD4KEAP1KIF11KDM4EALDH1A1
SCHEMBL13802151 0.78 BRD4 (0.44) BRD4KEAP1KIF11KDM4EALDH1A1
SCHEMBL17331932 0.77 BRD4 (0.43) BRD4KEAP1KIF11KDM4EALDH1A1
SCHEMBL31560951 0.77 BRD4 (0.43) BRD4KEAP1KIF11KDM4EALDH1A1
SCHEMBL25353014 0.77 BRD4 (0.43) BRD4KEAP1KIF11KDM4EALDH1A1
SCHEMBL3932021 0.77 KEAP1 (0.41) KEAP1KIF11KDM4EALDH1A1LMNA
SCHEMBL25997028 0.77 PIK3CB (0.42) KEAP1KIF11KDM4EALDH1A1LMNA
SCHEMBL24355264 0.77 KIF11 (0.51) BRD4KEAP1KIF11MAPT
SCHEMBL16658367 0.74 EPHX2 (0.47) BRD4KEAP1KIF11
SCHEMBL16868358 0.74 HPGD (0.43) BRD4KEAP1KIF11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 BRD4 858/4885KEAP1 1196/4885KIF11 4280/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 BRD4 740/4885KEAP1 1265/4885KIF11 4108/4885

“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.