SCHEMBL2114039

SCHEMBL2114039

N#Cc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.53
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
KAT6A Q92794 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
DEGS1 O15121 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL2113091 0.93 ESR1 (0.56) MMP3ESR1ESR2MEN1KMT2A
SCHEMBL2112966 0.90 CA2 (0.55) MMP3ESR1ESR2MEN1KMT2A
SCHEMBL2112322 0.88 ESR1 (0.61) MMP3ESR1ESR2MEN1KMT2A
SCHEMBL2113552 0.88 ESR1 (0.61) MMP3ESR1ESR2MEN1KMT2A
SCHEMBL2112731 0.85 KMT2A (0.63) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL2113922 0.84 KDM4E (0.50) MEN1KMT2ANPC1KAT6AMAPT
SCHEMBL31393776 0.84 KMT2A (0.57) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL2113060 0.80 ESR1 (0.69) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL10952873 0.80 MMP3 (0.83) MMP3ESR1ESR2MEN1KMT2A
SCHEMBL2113035 0.80 ESR2 (0.48) ESR1ESR2MAPTRAB9ACA12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 MMP3 2415/4885ESR1 7/4885ESR2 3/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MMP3 2884/4885ESR1 5/4885ESR2 3/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MMP3 2884/4885ESR1 5/4885ESR2 3/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 MMP3 2884/4885ESR1 5/4885ESR2 3/4885

“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.