SCHEMBL79709

SCHEMBL79709

O=C(O)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.72
RXRB P28702 4/20 0.72
RXRG P48443 4/20 0.72
MRGPRX4 Q96LA9 10/20 0.71
PTGER1 P34995 1/20 0.55
NR4A2 P43354 3/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3550855 0.89 RXRA (0.61) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL10323581 0.89 RXRA (0.61) RXRARXRBRXRGMRGPRX4
SCHEMBL1437991 0.89 RXRA (0.61) RXRARXRBRXRGMRGPRX4
SCHEMBL849231 0.89 RXRA (0.72) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL79430 0.88 RXRA (0.63) RXRARXRBRXRGMRGPRX4KMT2A
SCHEMBL20897436 0.87 MRGPRX4 (0.82) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL3178999 0.87 RXRA (0.56) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL2950475 0.87 RXRA (0.59) RXRARXRBRXRGMRGPRX4MEN1
SCHEMBL3901919 0.87 MRGPRX4 (0.69) RXRARXRBRXRGMRGPRX4
SCHEMBL1437962 0.87 RXRA (0.59) RXRARXRBRXRGMRGPRX4PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157189-A1 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2020-04-07 US disclosed
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2020-04-07 US disclosed
US-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2019-03-21 US disclosed
US-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2019-03-21 US disclosed
US-10125097-B2 1- [1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2018-11-13 US disclosed
EP-2917209-B1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIV BARCELONA (ES) 2017-02-08 EP disclosed
EP-2917209-B1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIV BARCELONA (ES) 2017-02-08 EP disclosed
US-20160168088-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES IPROTEOS S,L, (ES) 2016-06-16 US disclosed
US-20160168088-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES IPROTEOS S,L, (ES) 2016-06-16 US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STERIX LTD. 2006-10-26 US disclosed
US-7098343-B2 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STERIX, LIMITED (GB) 2006-08-29 US disclosed
US-20060142360-A1 Compound RICHTER GEDEON NYRT. (HU) 2006-06-29 US disclosed
CN-1599728-A Sulfamate-containing 1,2, 4-triazole derivatives as aromatase inhibitors STERIX LTD (GB) 2005-03-23 CN disclosed
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 EP disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 US disclosed
WO-2003045925-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2003-06-05 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-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STS, SULT1E1, CYP19A1 RXRA 2518/4885RXRB 2305/4885RXRG 2300/4885
US-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES BDNF, GRIN1, NLN RXRA 3080/4885RXRB 2762/4885RXRG 3404/4885
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives BDNF, GRIN1, NLN RXRA 3080/4885RXRB 2762/4885RXRG 3404/4885
US-10125097-B2 1- [1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives BDNF, GRIN2A, NLN RXRA 2208/4885RXRB 2032/4885RXRG 2460/4885
US-20160168088-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES BDNF, GRIN2A, NLN RXRA 2208/4885RXRB 2032/4885RXRG 2460/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA RXRA 1453/4885RXRB 1128/4885RXRG 1041/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 RXRA 2296/4885RXRB 2073/4885RXRG 1757/4885

“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.