SCHEMBL9613396

SCHEMBL9613396

C[C@]12CCC3c4ccc(OS(=O)(=O)C(F)(F)F)cc4CCC3C1CCC2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 12/20 0.77
CA1 P00915 3/20 0.77
CA2 P00918 3/20 0.77
CA9 Q16790 3/20 0.77
KDM4E B2RXH2 2/20 0.77
ESR1 P03372 2/20 0.77
ESR2 Q92731 2/20 0.77
ABCC4 O15439 1/20 0.77
CYP2C9 P11712 1/20 0.77
ABCC1 P33527 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77
CA4 P22748 1/20 0.77
CA6 P23280 1/20 0.77
LMNA P02545 2/20 0.73
MAPT P10636 2/20 0.73
HSD17B1 P14061 2/20 0.73
RECQL P46063 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CYP3A4 P08684 3/20 0.71
CA5A P35218 2/20 0.67

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
SCHEMBL3825597 1.00 STS (0.77) STSCA1CA2CA9KDM4E
SCHEMBL12054334 1.00 STS (0.77) STSCA1CA2CA9KDM4E
SCHEMBL31321077 1.00 STS (0.77) STSCA1CA2CA9KDM4E
Trifluoromethanesulfonic Acid SCHEMBL27761118 0.96 STS (0.78) STSCA1CA2CA9KDM4E
SCHEMBL21034361 0.89 STS (0.80) STSCA1CA2CA9KDM4E
SCHEMBL14401204 0.89 STS (0.71) STSCA1CA2CA9KDM4E
SCHEMBL15434166 0.89 STS (0.71) STSCA1CA2CA9KDM4E
SCHEMBL21067318 0.89 STS (0.84) STSCA1CA2CA9KDM4E
SCHEMBL8034430 0.88 STS (0.82) STSCA1CA2CA9KDM4E
SCHEMBL17531381 0.88 STS (0.82) STSCA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
US-9284345-B2 17alpha-substituted steroids as systemic antiandrogens and selective androgen receptor modulators ENDORECHERCHE, INC. (CA) 2016-03-15 US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
EP-2132215-B1 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF UNIV ALBERTA (CA) 2015-09-23 EP disclosed
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 US disclosed
US-8633308-B2 Compounds for preventing or treating viral infections and methods of use thereof THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-01-21 US disclosed
US-20120135954-A1 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-05-31 US disclosed
US-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. 2009-02-12 US disclosed
US-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. 2009-02-12 US disclosed
WO-2008124922-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. (CA) 2008-10-23 WO disclosed
WO-2008104893-A2 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (US) 2008-09-04 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 (6 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-20090042844-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SRD5A1 STS 142/4885CA1 3945/4885CA2 3727/4885
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 STS 557/4885CA1 4054/4885CA2 4418/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 STS 557/4885CA1 4054/4885CA2 4418/4885
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 HSD17B11, HSD17B1, HSD17B3 STS 26/4885CA1 454/4885CA2 1249/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 STS 557/4885CA1 4054/4885CA2 4418/4885
US-20120135954-A1 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF HAVCR2, MAVS, ZC3HAV1 STS 3795/4885CA1 3639/4885CA2 3564/4885

“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.