Sugi Predict

Sugi Predict / Compounds / SCHEMBL875475

SCHEMBL875475

SCHEMBL875475

NC(=O)c1cccc(OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.60
▸ HTT P42858 2/20 0.56
▸ SIRT2 Q8IXJ6 2/20 0.52
▸ SGMS2 Q8NHU3 2/20 0.51
▸ PTGER1 P34995 3/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ PTGER4 P35408 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
Hydrochloric Acid SCHEMBL27966084 0.98 PARP1 (0.58) PARP1HTTSIRT2SGMS2PTGER1
SCHEMBL28093635 0.88 PTGER1 (0.59) HTTSGMS2PTGER1NPC1PTGER4
SCHEMBL718082 0.85 PARP1 (0.79) PARP1HTTSGMS2NPC1MEN1
SCHEMBL5504646 0.85 CYP3A4 (0.49) PARP1HTTMEN1KMT2AMAPT
SCHEMBL10821155 0.85 SGMS2 (0.56) PARP1HTTSGMS2PTGER1NPC1
SCHEMBL7689226 0.83 PARP1 (0.61) PARP1HTTSIRT2SGMS2PTGER1
Hydrochloric Acid SCHEMBL28731405 0.81 PARP1 (0.58) PARP1HTTSIRT2SGMS2PTGER1
SCHEMBL27651181 0.81 ALDH1A1 (0.58) PARP1HTTNPC1KMT2AMAPK1
SCHEMBL7050436 0.81 PARP1 (0.49) PARP1HTTSIRT2SGMS2PTGER1
SCHEMBL875473 0.80 PTGER1 (0.62) PARP1HTTSIRT2SGMS2PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 — — US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 — — US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 — — US disclosed
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 — — CN disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 — — US disclosed
US-9051267-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2015-06-09 — — US disclosed
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2015-03-26 — — US disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 — — CN disclosed
CN-103957706-A Estrogen receptor ligands and methods of use thereof GTX INC 2014-07-30 — — CN disclosed
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx (US) 2014-07-03 — — US disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 — — US disclosed
WO-2011106317-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2011-09-01 — — WO disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 — — US disclosed
WO-2010096801-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2010-08-26 — — WO disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 — — US disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 — — CN disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 — — WO disclosed
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 — — EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 — — US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 — — 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 (7 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-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GNRHR, LHCGR, SHBG PARP1 3880/4885HTT 3015/4885SIRT2 1568/4885
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 PARP1 2788/4885HTT 4483/4885SIRT2 972/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 PARP1 3734/4885HTT 4500/4885SIRT2 1121/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 PARP1 3799/4885HTT 4070/4885SIRT2 938/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 PARP1 3799/4885HTT 4070/4885SIRT2 938/4885
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR PARP1 4709/4885HTT 4359/4885SIRT2 1596/4885
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 PARP1 2788/4885HTT 4483/4885SIRT2 972/4885

“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.