Sugi Predict

Sugi Predict / Compounds / SCHEMBL3430113

SCHEMBL3430113

SCHEMBL3430113

COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C)CC[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ HSD17B10 Q99714 2/20 0.80
▸ CYP1A1 P04798 2/20 0.80
▸ CYP1B1 Q16678 2/20 0.80
▸ CYP19A1 P11511 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ GAA P10253 2/20 0.80
▸ MAPT P10636 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ TP53 P04637 1/20 0.80
▸ TSHR P16473 1/20 0.80
▸ NFKB1 P19838 1/20 0.80
▸ CYP2C19 P33261 1/20 0.80
▸ THPO P40225 1/20 0.80
▸ GMNN O75496 1/20 0.80
▸ SHBG P04278 1/20 0.80
▸ MTOR P42345 1/20 0.80
▸ BLM P54132 1/20 0.80

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
SCHEMBL14311225 1.00 CYP1A2 (0.80) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL13123068 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL14252882 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL8796 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL119439 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL23261536 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL29357742 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL7052497 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
SCHEMBL14599350 0.89 CYP1A2 (0.80) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1
2-Methoxyestradiol SCHEMBL26936622 0.89 CYP19A1 (1.00) CYP1A2CYP3A4HSD17B10CYP1A1CYP1B1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492570-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumor action STERIX LIMITED (GB) 2013-07-23 — — US disclosed
US-8273383-B2 Administration of 2-methoxyestradiol or it derivatives such as colchicine or combretastatin A-4; for treating and/or preventing a pregnancy related disease; safer and more effective CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-09-25 — — US disclosed
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 — — EP disclosed
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LIMITED (GB) 2009-09-03 — — US disclosed
EP-1906969-A4 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDRENS MEDICAL CENTER (US) 2009-07-29 — — EP disclosed
EP-1773349-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDRENS MEDICAL CENTER (US) 2009-07-29 — — EP disclosed
US-7427610-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2008-09-23 — — US disclosed
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-07-03 — — US disclosed
US-7371741-B2 Estradiol derivatives and pharmaceutical compositions using same ENTREMED, INC. (US) 2008-05-13 — — US disclosed
EP-1906969-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-04-09 — — EP disclosed
US-7135581-B2 Antiangiogenic agents ENTREMED, INC. (US) 2006-11-14 — — US disclosed
US-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2006-07-20 — — US disclosed
EP-1633367-A2 ANTIANGIOGENIC AGENTS EntreMed, Inc. (US) 2006-03-15 — — EP disclosed
WO-2005110462-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-11-24 — — WO disclosed
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 — — US disclosed
WO-2005030120-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2005-04-07 — — WO disclosed
WO-2002042319-A9 2-SUBSTITUTED ESTROGENS AS ANTIANGIOGENIC AGENTS ENTREMED INC (US) 2005-03-31 — — WO disclosed
US-20050014737-A1 Antiangiogenic agents ENTREMED, INC. 2005-01-20 — — US disclosed
WO-2003073985-A2 NEW METHODS OF USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2003-09-12 — — WO disclosed
US-20020082433-A1 Antiangiogenic agents ENTREMED, INC. 2002-06-27 — — 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 (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-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action SULT1E1, SULT1A1, SULT2A1 CYP1A2 406/4885CYP3A4 1713/4885HSD17B10 147/4885
US-20050192258-A1 Antiangiogenic agents VEGFA, PGF, TEK CYP1A2 891/4885CYP3A4 2585/4885HSD17B10 626/4885
US-20020082433-A1 Antiangiogenic agents VEGFA, PGF, TEK CYP1A2 648/4885CYP3A4 1989/4885HSD17B10 504/4885
US-20050014737-A1 Antiangiogenic agents VEGFA, TEK, FLT4 CYP1A2 3144/4885CYP3A4 4262/4885HSD17B10 2784/4885
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SULT1E1, SULT1A1, SULT2A1 CYP1A2 381/4885CYP3A4 1685/4885HSD17B10 144/4885
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia PGF, SHBG, HSD17B11 CYP1A2 270/4885CYP3A4 1195/4885HSD17B10 78/4885

“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.