SCHEMBL3017159

SCHEMBL3017159

CC1(C)N=C(c2ccc(Cl)cc2)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
PTGS2 P35354 3/20 0.41
MET P08581 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
NR3C1 P04150 1/20 0.38
CYP17A1 P05093 1/20 0.38
GLO1 Q04760 1/20 0.37
BRD4 O60885 2/20 0.37
NR3C2 P08235 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
TDP2 O95551 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 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
SCHEMBL3025036 0.88 NR3C2 (0.48) PTGS2NR3C1BRD4NR3C2HPGD
SCHEMBL12081775 0.88 CYP17A1 (0.45) METNR3C1CYP17A1BRD4NR3C2
SCHEMBL12081721 0.88 KIF11 (0.39) KIF11PTGS2NR3C1CYP17A1BRD4
SCHEMBL3022634 0.87 CYP17A1 (0.45) KIF11PTGS2IKBKBCHUKCYP17A1
SCHEMBL3017436 0.86 CYP17A1 (0.44) KIF11PTGS2NR3C1CYP17A1BRD4
SCHEMBL12081699 0.86 GLO1 (0.40) KIF11GLO1NR3C2ADRA1DADRA1A
SCHEMBL3026326 0.86 CYP17A1 (0.39) KIF11CYP17A1BRD4NR3C2ADRA1D
SCHEMBL3011521 0.85 NR3C2 (0.39) KIF11CYP17A1BRD4NR3C2ADRA1D
SCHEMBL12081663 0.85 PGR (0.47) NR3C1NR3C2ADRA1DADRA1A
SCHEMBL12081678 0.85 KIF11 (0.52) KIF11NR3C1CYP17A1NR3C2ADRA1D

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
US-9730948-B2 Pharmaceutical compositions for preventing glucocorticoid-induced skin thinning INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-15 US disclosed
WO-2017064121-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHOROIDAL NEOVASCULARISATION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-04-20 WO disclosed
US-20160136183-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING GLUCOCORTICOID-INDUCED CORNEAL OR SKIN THINNING Universite De Paris (FR) 2016-05-19 US disclosed
WO-2016005424-A1 METHODS FOR ASSESSING MINERALOCORTICOID RECEPTOR ACTIVATION IN ADIPOSE TISSUE OF A SUBJECT AND TREATING METABOLIC SYNDROME INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-14 WO disclosed
WO-2014202744-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING GLUCOCORTICOID-INDUCED CORNEAL OR SKIN THINNING INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2014-12-24 WO disclosed
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-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-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 (3 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 KIF11 2363/4885PTGS2 1372/4885MET 244/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KIF11 2908/4885PTGS2 1072/4885MET 203/4885
US-20160136183-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING GLUCOCORTICOID-INDUCED CORNEAL OR SKIN THINNING NR3C1, NR3C2, MC2R KIF11 3277/4885PTGS2 41/4885MET 1385/4885

“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.