SCHEMBL17531381

SCHEMBL17531381

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 12/20 0.82
CA2 P00918 4/20 0.82
CA1 P00915 3/20 0.82
CA9 Q16790 3/20 0.82
ESR1 P03372 2/20 0.82
ESR2 Q92731 2/20 0.82
KDM4E B2RXH2 2/20 0.82
ABCC4 O15439 1/20 0.82
CYP2C9 P11712 1/20 0.82
ABCC1 P33527 1/20 0.82
SLCO1B1 Q9Y6L6 1/20 0.82
CA4 P22748 1/20 0.82
CA6 P23280 1/20 0.82
LMNA P02545 2/20 0.78
MAPT P10636 2/20 0.78
HSD17B1 P14061 2/20 0.78
RECQL P46063 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
CYP3A4 P08684 3/20 0.74
AKR1B10 O60218 1/20 0.68

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
SCHEMBL8034430 1.00 STS (0.82) STSCA2CA1CA9ESR1
SCHEMBL21067318 0.92 STS (0.84) STSCA2CA1CA9ESR1
SCHEMBL6140924 0.90 STS (0.77) STSCA2CA1CA9ESR1
SCHEMBL8214105 0.90 STS (0.77) STSCA2CA1CA9ESR1
Estrone Sulfuric Acid SCHEMBL12920398 0.90 STS (1.00) STSCA2CA1CA9ESR1
Estrone Sulfuric Acid SCHEMBL2296097 0.90 KDM4E (0.96) STSCA2CA1CA9ESR1
Estrone Sulfuric Acid SCHEMBL22846 0.90 STS (1.00) STSCA2CA1CA9ESR1
SCHEMBL21034361 0.90 STS (0.80) STSCA2CA1CA9ESR1
Estrone Sulfuric Acid SCHEMBL4812138 0.90 KDM4E (0.96) STSCA2CA1CA9ESR1
Emate SCHEMBL14548146 0.90 STS (1.00) STSCA2CA1CA9ESR1

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-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-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-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-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

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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 STS 557/4885CA2 4418/4885CA1 4054/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 STS 557/4885CA2 4418/4885CA1 4054/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 STS 557/4885CA2 4418/4885CA1 4054/4885

“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.