SCHEMBL79041

SCHEMBL79041

OCc1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.56
RXRB P28702 3/20 0.56
RXRG P48443 3/20 0.56
MRGPRX4 Q96LA9 6/20 0.52
S1PR1 P21453 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CTSS P25774 1/20 0.44
TSHR P16473 1/20 0.43
FOLH1 Q04609 1/20 0.43
HTR2C P28335 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
SCHEMBL6812974 0.88 CYP4F2 (0.54) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL20482536 0.88 RXRA (0.56) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL79415 0.85 RXRA (0.52) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL18924486 0.82 RXRA (0.50) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL20756090 0.82 RXRA (0.54) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL86405 0.81 RXRA (0.49) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL10088933 0.81 S1PR1 (0.44) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL2020809 0.81 S1PR1 (0.47) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL30280404 0.80 SLC2A1 (0.56) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL584781 0.80 SLC2A1 (0.56) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US 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 (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-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-20060142360-A1 Compound QPCT, SQOR, SDHA RXRA 1453/4885RXRB 1128/4885RXRG 1041/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 RXRA 2471/4885RXRB 2398/4885RXRG 2190/4885
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.