SCHEMBL3239805

SCHEMBL3239805

CN(C)S(=O)(=O)c1c(Br)cc(C=O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 6/20 0.37
ALDH3A1 P30838 1/20 0.37
LMNA P02545 2/20 0.33
PRKDC P78527 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2A13 Q16696 1/20 0.32
MAPK1 P28482 1/20 0.32
GSTO1 P78417 1/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
PDE2A O00408 1/20 0.30
PDE5A O76074 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
APEX1 P27695 1/20 0.30
PDE4A P27815 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL4802570 0.85 MAPT (0.48) MAPTALDH1A1PRKDCMAPK1
SCHEMBL3233108 0.77 ALDH1A3 (0.46) ALDH1A3MAPTALDH1A1ALDH3A1LMNA
SCHEMBL13292618 0.73 ALDH1A3 (0.39) ALDH1A3MAPTALDH1A1ALDH3A1LMNA
SCHEMBL3240035 0.72 GSTO1 (0.37) MAPTALDH1A1LMNAGSTO1CXCR1
SCHEMBL7811222 0.68 ALDH1A3 (0.42) ALDH1A3ALDH1A1ALDH3A1LMNAPRKDC
SCHEMBL7814448 0.67 APEX1 (0.45) ALDH1A3ALDH1A1ALDH3A1PRKDCCYP2A6
SCHEMBL13292633 0.66 ALDH1A1 (0.51) MAPTALDH1A1LMNAPRKDCMAPK1
SCHEMBL13292613 0.66 ALDH1A3 (0.43) ALDH1A3MAPTALDH1A1ALDH3A1MAPK1
SCHEMBL847553 0.65 LMNA (0.58) ALDH1A3MAPTALDH1A1ALDH3A1LMNA
SCHEMBL2224577 0.64 RAB9A (0.51) MAPTALDH1A1LMNA

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 10 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-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-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 ALDH1A3 2974/4885MAPT 3143/4885ALDH1A1 1437/4885
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 ALDH1A3 703/4885MAPT 3852/4885ALDH1A1 283/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA ALDH1A3 2974/4885MAPT 3143/4885ALDH1A1 1437/4885
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 ALDH1A3 1597/4885MAPT 4180/4885ALDH1A1 1098/4885

“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.