SCHEMBL3229664

SCHEMBL3229664

COc1cc(C=O)ccc1S(=O)(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 4/20 0.51
TRIM24 O15164 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
GLA P06280 1/20 0.49
FDPS P14324 1/20 0.49
AOX1 Q06278 1/20 0.47
TTR P02766 1/20 0.45
ALDH1A3 P47895 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3243188 0.87 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL6559397 0.80 TRPV4 (0.62) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL23201069 0.80 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL3240034 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGLAALDH1A3MAPT
SCHEMBL3233108 0.77 ALDH1A3 (0.46) ALDH1A1TSHRALDH1A3MAPTLMNA
SCHEMBL4639549 0.77 TSHR (0.51) ALDH1A1TSHRGLAMAPTLMNA
SCHEMBL6542213 0.76 ALDH1A1 (0.54) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL13292649 0.76 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL13292662 0.76 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL3231720 0.73 GLA (0.48) ALDH1A1TSHRTDP1GLATTR

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 ALDH1A1 1437/4885TSHR 2546/4885HPGD 488/4885
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 ALDH1A1 283/4885TSHR 2458/4885HPGD 720/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA ALDH1A1 1437/4885TSHR 2546/4885HPGD 488/4885
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 ALDH1A1 1098/4885TSHR 2555/4885HPGD 484/4885

“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.