SCHEMBL3236453

SCHEMBL3236453

O=C(Oc1ccc(CO)cc1Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
KMT2A Q03164 7/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TTR P02766 1/20 0.45
SLC6A3 Q01959 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4798869 0.89 CES2 (0.53) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8198695 0.83 KMT2A (0.56) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL16610045 0.81 KMT2A (0.71) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL14248985 0.79 KMT2A (0.63) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4799290 0.78 HPGD (0.60) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL1546405 0.76 PARP10 (0.61) KMT2AMAPTSMN1; SMN2MEN1TDP1
SCHEMBL18324277 0.75 KMT2A (0.56) KMT2AMAPTSMN1; SMN2MEN1TDP1
SCHEMBL9339364 0.75 KMT2A (0.56) HPGDKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL27607662 0.75 MAPT (0.50) KMT2AMAPTSMN1; SMN2MEN1TDP1
SCHEMBL21191014 0.75 TTR (0.72) MAPTTTR

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 17 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
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-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-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-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-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 HPGD 488/4885KMT2A 880/4885MAPT 3143/4885
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 HPGD 720/4885KMT2A 1225/4885MAPT 3852/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA HPGD 488/4885KMT2A 880/4885MAPT 3143/4885
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 HPGD 484/4885KMT2A 676/4885MAPT 4180/4885

“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.