SCHEMBL3024758

SCHEMBL3024758

CNS(=O)(=O)c1ccc2c(c1)OC(C)(C)C(C#N)=C2c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.40
ALDH3A1 P30838 1/20 0.38
BRD4 O60885 1/20 0.38
KIT P10721 1/20 0.37
KIF11 P52732 1/20 0.34
PTGS1 P23219 6/20 0.34
SLC22A12 Q96S37 1/20 0.33
PARG Q86W56 1/20 0.33
NR3C2 P08235 1/20 0.33
DRD1 P21728 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3023750 0.84 PTGS2 (0.41) PTGS2ALDH3A1BRD4KITKIF11
SCHEMBL3018659 0.82 NR3C2 (0.53) PTGS2BRD4KITNR3C2
SCHEMBL12085079 0.80 PTGS2 (0.33) PTGS2NR3C2
SCHEMBL3025613 0.79 MAPT (0.38) PTGS2NR3C2KDM4EHPGDTSHR
SCHEMBL3017342 0.79 KDM4E (0.39) PTGS2PTGS1NR3C2KDM4ECYP1A2
SCHEMBL14666719 0.79 PTGS2 (0.33) PTGS2NR3C2
SCHEMBL3027750 0.77 BACE1 (0.37) BRD4NR3C2CYP1A2CYP2C9CYP2C19
SCHEMBL14666690 0.77 BRD4 (0.34) PTGS2BRD4NR3C2
SCHEMBL12085056 0.77 BRD4 (0.34) BRD4NR3C2KDM4EHPGD
SCHEMBL15049781 0.76 MAOB (0.32) PTGS2NR3C2

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
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-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
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 PTGS2 1372/4885ALDH3A1 2657/4885BRD4 112/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PTGS2 1072/4885ALDH3A1 2610/4885BRD4 105/4885

“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.