SCHEMBL5413845

SCHEMBL5413845

CC(=O)Nc1ccc(OC(C)=O)c(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
CASP7 P55210 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR2 O95136 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL8714027 0.85 GAA (0.47) ALDH1A1TSHRGAAHSD17B10CASP1
SCHEMBL15594102 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10HPGDMAPT
SCHEMBL10472153 0.78 HDAC1 (0.47) ALDH1A1GAAHSD17B10HPGDMAPT
SCHEMBL5735731 0.77 ALDH1A1 (0.43) ALDH1A1TSHRGAAHSD17B10CASP1
SCHEMBL5421934 0.77 ACHE (0.54) ALDH1A1TSHRGAAHSD17B10CASP1
SCHEMBL29843805 0.76 PIM1 (0.49) ALDH1A1TSHRGAAHSD17B10HPGD
SCHEMBL2734142 0.76 PIM1 (0.49) ALDH1A1TSHRGAAHSD17B10HPGD
SCHEMBL5736205 0.75 ACHE (0.40) ALDH1A1TSHRGAAHSD17B10HPGD
SCHEMBL15594109 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDMAPTKMT2A
SCHEMBL1693205 0.75 RXFP1 (0.53) ALDH1A1HSD17B10HPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (1 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ALDH1A1 3541/4885TSHR 2487/4885GAA 3382/4885

“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.