SCHEMBL5707692

SCHEMBL5707692

CCCN(C)C(=O)C1=CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 19/20 0.77
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
ESR1 P03372 2/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
ESR2 Q92731 1/20 0.58

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
SCHEMBL5707697 1.00 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL5707476 0.92 STS (0.78) STSCA1CA2CA9ESR1
SCHEMBL5707482 0.92 STS (0.78) STSCA1CA2CA9ESR1
SCHEMBL5707458 0.90 STS (0.85) STSCA1CA2CA9ESR1
SCHEMBL5707460 0.90 STS (0.85) STSCA1CA2CA9ESR1
SCHEMBL5707488 0.89 STS (0.81) STSCA1CA2CA9ESR1
SCHEMBL5707485 0.89 STS (0.81) STSCA1CA2CA9ESR1
SCHEMBL14596903 0.87 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL5707498 0.87 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL5707499 0.87 STS (1.00) STSCA1CA2CA9ESR1

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
EP-1147124-B1 STEROID SULFATASE INHIBITORS AND METHODS FOR MAKING AND USING THE SAME UNIV HOLY GHOST DUQUESNE (US) 2006-08-30 EP disclosed
US-6436918-B1 SULFAMATE- AND AMINOCARBONYL- SUBSTITUTED STEROID RING SYSTEM HAVING 4 ATTACHED RINGS; THERAPEUTIC AND PROPHYLACTIC TREATMENTS FOR ESTROGEN DEPENDENT ILLNESSES. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-08-20 US disclosed
US-20020068726-A1 Steroid sulfatase inhibitors and methods for making and using the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2002-06-06 US disclosed
US-6376687-B1 THERAPY FOR ESTROGEN SENSITIVE DISEASES DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-04-23 US disclosed
EP-1147124-A2 STEROID SULFATASE INHIBITORS AND METHODS FOR MAKING AND USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2001-10-24 EP disclosed
WO-2000043408-A2 STEROID SULFATASE INHIBITORS AND METHODS FOR MAKING AND USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-07-27 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 (1 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-20020068726-A1 Steroid sulfatase inhibitors and methods for making and using the same STS, HSD17B11, CYP21A2 STS 1/4885CA1 361/4885CA2 2078/4885

“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.