SCHEMBL3017436

SCHEMBL3017436

Cc1cc(Cl)ccc1C1=NC(C)(C)Oc2cc(NS(C)(=O)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
KIF11 P52732 1/20 0.38
BRD4 O60885 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
NR3C2 P08235 3/20 0.35
NR3C1 P04150 2/20 0.35
PTGS2 P35354 1/20 0.35
PGR P06401 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 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
SCHEMBL3011521 0.88 NR3C2 (0.39) CYP17A1KIF11BRD4HAVCR2ADRA1D
SCHEMBL12081692 0.87 BRD4 (0.46) CYP17A1BRD4ADRA1DADRA1ANR3C2
SCHEMBL3016982 0.87 NR3C2 (0.44) CYP17A1BRD4NR3C2NR3C1PGR
SCHEMBL3017159 0.86 KIF11 (0.49) CYP17A1KIF11BRD4ADRA1DADRA1A
SCHEMBL3022634 0.83 CYP17A1 (0.45) CYP17A1KIF11HAVCR2ADRA1DADRA1A
SCHEMBL14666669 0.82 NOTUM (0.33) HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12081777 0.81 BRD4 (0.45) CYP17A1BRD4HAVCR2NR3C2NR3C1
SCHEMBL3027015 0.81 NR3C2 (0.39) CYP17A1KIF11ADRA1ANR3C2PTGS2
SCHEMBL12081721 0.80 KIF11 (0.39) CYP17A1KIF11BRD4HAVCR2NR3C2
SCHEMBL12081775 0.79 CYP17A1 (0.45) CYP17A1KCNH2BRD4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP claimed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US claimed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US claimed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP claimed
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CYP17A1 247/4885SLC6A2 1089/4885SLC6A4 835/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CYP17A1 184/4885SLC6A2 902/4885SLC6A4 611/4885

“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.