SCHEMBL2984752

SCHEMBL2984752

Cc1cn(S(C)(=O)=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
SCN9A Q15858 5/20 0.39
SCN5A Q14524 4/20 0.39
SCN2B O60939 2/20 0.39
SCN1B Q07699 2/20 0.39
SCN1A P35498 1/20 0.39
HTR6 P50406 6/20 0.38
DDR1 Q08345 1/20 0.37
MAPT P10636 1/20 0.37
FABP4 P15090 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAT2A P31153 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
SCHEMBL5203102 0.76 HTR6 (0.50) HTR6MAPTFABP4ALDH1A1LMNA
SCHEMBL16729581 0.76 KIF11 (0.51) KIF11SCN9ASCN5AMAPTALDH1A1
SCHEMBL16729372 0.73 KIF11 (0.45) KIF11HTR6MAPTALDH1A1
SCHEMBL30892194 0.72 HTR6 (0.52) KIF11HTR6DDR1
SCHEMBL16752464 0.72 PDE4A (0.45) HTR6MAPTALDH1A1
SCHEMBL5204149 0.72 ALDH1A1 (0.45) HTR6MAPTALDH1A1LMNA
SCHEMBL15730221 0.70 HTR6 (0.46) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL19848510 0.70 NPSR1 (0.45) DDR1MAPTLMNA
SCHEMBL19915608 0.70 DDR1 (0.41) DDR1FABP4ALDH1A1LMNA
SCHEMBL15598333 0.70 ALDH1A1 (0.47) HTR6ALDH1A1LMNA

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 11 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
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 KIF11 4704/4885SCN9A 2090/4885SCN5A 3089/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 KIF11 4612/4885SCN9A 2619/4885SCN5A 3239/4885

“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.