SCHEMBL18488196

SCHEMBL18488196

Cc1c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)ccc2c1[nH]c1cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
EDNRB P24530 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL18488198 0.87 EDNRA (0.48) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL18488197 0.85 EDNRA (0.48) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL18488193 0.80 CA2 (0.39) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL16684681 0.80 EDNRA (0.56) EDNRAKDM4ETSHRHSD17B10BCL2
SCHEMBL18488194 0.72 EDNRA (0.47) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL18488202 0.72 EDNRA (0.49) EDNRAKDM4ETSHRHSD17B10
SCHEMBL28416676 0.72 EDNRA (0.60) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL10714752 0.71 EDNRA (0.60) EDNRAKDM4ETSHRHSD17B10BCL2
SCHEMBL20434656 0.70 EDNRA (0.41) EDNRAKDM4EMEN1CYP3A4CYP2C9
SCHEMBL13713848 0.70 BCL2 (0.56) EDNRAKDM4ETSHRHSD17B10BCL2

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 5 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-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 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 (4 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 1811/4885MEN1 3004/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885MEN1 3004/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885MEN1 3004/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT EDNRA 338/4885KDM4E 1811/4885MEN1 3004/4885

“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.