SCHEMBL3239909

SCHEMBL3239909

BrCc1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.71
CYP3A4 P08684 1/20 0.54
MAOB P27338 5/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
MAOA P21397 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
MTNR1A P48039 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGDR Q13258 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
SCHEMBL27613728 0.87 ALOX5 (0.67) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL9939705 0.86 ALOX5 (0.76) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL29411728 0.84 MAOB (0.68) ALOX5MAOBMAOABCHELCK
SCHEMBL80829 0.84 MAOB (0.68) ALOX5MAOBMAOABCHELCK
SCHEMBL51460 0.83 ALOX5 (1.00) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL282581 0.83 LMNA (0.64) ALOX5MAOBRAB9AMAOABCHE
SCHEMBL8984340 0.83 ALOX5 (0.92) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL5382714 0.83 ALOX5 (0.71) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL3231630 0.83 ALOX5 (0.71) ALOX5CYP3A4MAOBNPC1RAB9A
SCHEMBL7402902 0.83 ALOX5 (0.71) ALOX5CYP3A4MAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 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
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 EP disclosed
US-6703082-B1 VARIOUS NAPHTHALENE-CONTAINING LIQUID CRYSTALS DISPLAYTECH, INC. 2004-03-09 US 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-20090111862-A1 Compound QPCT, SQOR, SDHA ALOX5 2515/4885CYP3A4 415/4885MAOB 352/4885
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 ALOX5 2087/4885CYP3A4 139/4885MAOB 313/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA ALOX5 2515/4885CYP3A4 415/4885MAOB 352/4885
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 ALOX5 2273/4885CYP3A4 145/4885MAOB 177/4885

“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.