SCHEMBL2971306

SCHEMBL2971306

Cc1ccc(C(=O)c2c(C)[nH]c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
KIF11 P52732 6/20 0.49
MAPT P10636 2/20 0.49
MITF O75030 1/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.42
MAPK6 Q16659 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42

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
SCHEMBL2975736 0.83 KIF11 (0.48) KIF11MAPTCA12CA9MAPK1
SCHEMBL13384023 0.80 PTGS1 (0.54) PTGS1PTGS2KIF11MAPTMITF
SCHEMBL2972598 0.77 TUBB1 (0.70) PTGS1PTGS2MAPTMITFTUBB1
SCHEMBL2980199 0.76 MAP2K4 (0.55) KIF11MAPTMAPK1MAP2K4MAPK6
SCHEMBL2971584 0.75 MAPT (0.59) PTGS1PTGS2MAPTMITFMAPK1
SCHEMBL2981080 0.75 ALDH1A1 (0.53) PTGS1PTGS2KIF11MAPTMITF
SCHEMBL9776264 0.74 SRD5A2 (0.68)
SCHEMBL2977493 0.73 MEN1 (0.51) PTGS1PTGS2TUBB1
SCHEMBL13772408 0.73 KIF11 (0.84) KIF11MAPT
SCHEMBL13581347 0.72 PTGS1 (0.65) PTGS1PTGS2KIF11MAPTTUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 PTGS1 3116/4885PTGS2 2919/4885KIF11 4704/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 PTGS1 3436/4885PTGS2 3183/4885KIF11 4612/4885

“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.