SCHEMBL18488202

SCHEMBL18488202

COc1ccc2c(c1)[nH]c1cc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c(C)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.49
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR6 P50406 1/20 0.44

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
SCHEMBL18488197 0.86 EDNRA (0.48) EDNRAKDM4ETSHRHSD17B10
SCHEMBL18488198 0.86 EDNRA (0.48) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL689951 0.82 KDM4E (0.43) EDNRAKDM4EHSD17B10HTR6
SCHEMBL18487536 0.78 KDM4E (0.48) EDNRAKDM4ETSHRHSD17B10HTR6
SCHEMBL18487738 0.76 DYRK1A (0.39) EDNRAKDM4EHSD17B10HTR6
SCHEMBL18488204 0.76 EDNRA (0.48) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL18487742 0.73 DYRK1A (0.41) EDNRAKDM4EHSD17B10HTR6
SCHEMBL689528 0.73 DYRK1A (0.42) EDNRAKDM4EHSD17B10HTR6
SCHEMBL18488201 0.73 EDNRA (0.46) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL18488196 0.72 EDNRA (0.47) EDNRAKDM4ETSHRHSD17B10

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-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885NSD2 1055/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885NSD2 1055/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885NSD2 1055/4885

“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.