SCHEMBL6284075

SCHEMBL6284075

O=S(=O)(Nc1ncccn1)c1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.56
EDNRA P25101 2/20 0.56
AURKA O14965 1/20 0.54
DHFR P00374 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
PGR P06401 1/20 0.51
BRD4 O60885 1/20 0.50
WDR5 P61964 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B2 P37059 1/20 0.50

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
SCHEMBL6281604 0.81 AURKA (0.69) AURKADHFRLMNATSHRALDH1A1
SCHEMBL17592896 0.80 LMNA (0.68) AURKADHFRLMNATSHRALDH1A1
SCHEMBL19332649 0.79 S100A9 (0.53) AURKADHFRLMNATSHRALDH1A1
SCHEMBL332569 0.78 TSHR (0.70) AURKADHFRLMNATSHRALDH1A1
SCHEMBL6980652 0.78 TDP1 (0.76) LMNAALDH1A1ATM
SCHEMBL14433749 0.77 HSD17B2 (0.66) EDNRBEDNRAPOLBPGRBRD4
SCHEMBL1576750 0.77 ALDH1A1 (0.57) EDNRALMNAALDH1A1ATM
SCHEMBL20267872 0.76 L3MBTL1 (0.65) LMNATSHRALDH1A1POLBATM
SCHEMBL6980648 0.76 LMNA (0.65) EDNRBEDNRALMNAALDH1A1POLB
SCHEMBL7594368 0.76 WDR5 (0.60) EDNRBEDNRAPGRBRD4WDR5

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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 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 (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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 EDNRB 243/4885EDNRA 132/4885AURKA 2232/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 EDNRB 243/4885EDNRA 132/4885AURKA 2232/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 EDNRB 243/4885EDNRA 132/4885AURKA 2232/4885

“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.