SCHEMBL4585857

SCHEMBL4585857

CCOc1cc(Br)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 5/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL22067283 0.84 KCNMA1 (0.48) KDM4EADRB1ADRB3HSD17B10SCN9A
SCHEMBL22091934 0.84 GPR27 (0.53) ADRB1ADRB3SMN1; SMN2HSD17B10SCN9A
SCHEMBL5703853 0.81 KDM4E (0.46) KDM4ELMNAADRB1ADRB3HSD17B10
SCHEMBL4584315 0.81 ADRB1 (0.42) KDM4ELMNAADRB1ADRB3HSD17B10
SCHEMBL7983685 0.80 HCRTR1 (0.65) KDM4EHSD17B10TSHRMAPTMEN1
SCHEMBL16055509 0.78 TDP1 (0.62) KDM4ELMNASMN1; SMN2HSD17B10TSHR
SCHEMBL20505282 0.77 HPGD (0.49) KDM4ESMN1; SMN2TSHRMAPTMEN1
SCHEMBL20505374 0.77 TSHR (0.61) KDM4ELMNASMN1; SMN2HSD17B10TSHR
SCHEMBL4584625 0.77 TSHR (0.60) KDM4ELMNAHSD17B10TSHRKMT2A
SCHEMBL16898622 0.77 HCRTR1 (0.47) KDM4ESMN1; SMN2HSD17B10TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 KDM4E 1697/4885LMNA 3579/4885ADRB1 70/4885

“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.