SCHEMBL4874767

SCHEMBL4874767

COc1cccc(C(C#N)(CCO)CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KIF11 P52732 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PARP1 P09874 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
ACHE P22303 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL7309094 0.84 CNR1 (0.46) CASP1HSD17B10PDE4APDE4BPDE4C
SCHEMBL30167338 0.84 CNR1 (0.46) CASP1HSD17B10PDE4APDE4BPDE4C
SCHEMBL11074467 0.83 LMNA (0.46) CASP1HSD17B10CES2CES1KIF11
SCHEMBL9079230 0.83 KIF11 (0.42) CASP1HSD17B10CES2CES1KIF11
SCHEMBL5482387 0.82 KIF11 (0.42) KIF11
SCHEMBL5469510 0.81 HSD17B10 (0.45) CASP1HSD17B10KIF11RAB9AALDH1A1
SCHEMBL5475919 0.79 CYP4F2 (0.54) ALDH1A1MAOBPKM
SCHEMBL7673680 0.79 KIF11 (0.40) CASP1HSD17B10CES2CES1KIF11
SCHEMBL5476420 0.76 KCNN4 (0.41) CASP1HSD17B10CES2CES1KIF11
SCHEMBL5476864 0.76 CTSK (0.41) CES2TSHRMAPK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20050165057-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-07-28 US disclosed
EP-1500648-A1 NOVEL PIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 CASP1 2926/4885HSD17B10 712/4885CES2 976/4885
US-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT CASP1 944/4885HSD17B10 315/4885CES2 172/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 CASP1 1388/4885HSD17B10 2077/4885CES2 439/4885

“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.