SCHEMBL5707489

SCHEMBL5707489

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.73
ESR2 Q92731 5/20 0.63
HSD17B1 P14061 5/20 0.56
STS P08842 3/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.56
AKR1B10 O60218 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
CYP1A2 P05177 1/20 0.56
PGR P06401 1/20 0.56
SERPINA6 P08185 1/20 0.56
AR P10275 1/20 0.56
CYP19A1 P11511 1/20 0.56
AKR1B1 P15121 1/20 0.56
NFKB1 P19838 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRM1 P35372 1/20 0.56
SNCA P37840 1/20 0.56
HTR2B P41595 1/20 0.56

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
SCHEMBL5707483 0.95 ESR1 (0.69) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL7102035 0.93 ESR1 (0.67) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL5707604 0.87 ESR1 (0.74) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL7650371 0.86 ESR1 (0.58) ESR1ESR2STSCYP3A4MAPT
SCHEMBL7213165 0.86 ESR1 (0.65) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL5707521 0.85 ESR1 (0.59) ESR1ESR2HSD17B1STSMAPT
SCHEMBL5159033 0.85 ESR1 (0.71) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL7218327 0.85 ESR1 (0.71) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL7949541 0.85 ESR1 (0.77) ESR1ESR2HSD17B1STSCYP3A4
SCHEMBL7218332 0.84 ESR1 (0.70) ESR1ESR2HSD17B1STSCYP3A4

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 9 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-6638923-B2 Has inhibitory activity against steroid sulfatase and are useful in treating or preventing hormone dependent diseases KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-28 US 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-6399595-B1 ANTITUMOR AGENTS; MAMMARY GLANDS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-06-04 US disclosed
US-20020058651-A1 Estra-1,3,5(10), 16-tetraene derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2002-05-16 US disclosed
US-6376687-B1 THERAPY FOR ESTROGEN SENSITIVE DISEASES DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-04-23 US disclosed
US-6288050-B1 ADMINISTERING ESTRANESULFAMIC ACID DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT DUQUESNE UNIVERSITY OF THE HOLY GHOST 2001-09-11 US disclosed
US-6262043-B1 SHOW INHIBITORY ACTIVITY AGAINST STEROID SULFATASE AND ARE USEFUL IN TREATING OR PREVENTING HORMONE DEPENDENT DISEASES. KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-07-17 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 (2 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-20020058651-A1 Estra-1,3,5(10), 16-tetraene derivatives HSD17B11, NR5A1, CYP19A1 ESR1 7/4885ESR2 5/4885HSD17B1 9/4885
US-20020068726-A1 Steroid sulfatase inhibitors and methods for making and using the same STS, HSD17B11, CYP21A2 ESR1 58/4885ESR2 45/4885HSD17B1 12/4885

“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.