SCHEMBL3239003

SCHEMBL3239003

CN(C)S(=O)(=O)Oc1ccc(CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
SMN1; SMN2 Q16637 9/20 0.42
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
STS P08842 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
LMNA P02545 2/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL3243211 0.81 RAB9A (0.56) RAB9ACA2CA12SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8530892 0.80 RAB9A (0.50) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL30410947 0.79 RAB9A (0.56) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL6510217 0.79 STS (0.44) CA2CA12ALDH1A1STSYAP1
SCHEMBL14596894 0.77 RAB9A (0.55) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL15290694 0.76 RAB9A (0.58) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL15290701 0.76 RAB9A (0.62) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL13292646 0.75 CYP19A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8531145 0.75 RAB9A (0.56) RAB9ACA2CA12SMN1; SMN2ALDH1A1
SCHEMBL15290697 0.75 RAB9A (0.56) RAB9ACA2CA12SMN1; SMN2ALDH1A1

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 11 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-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 RAB9A 2278/4885CA2 1641/4885CA12 667/4885
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 RAB9A 4071/4885CA2 1885/4885CA12 1717/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA RAB9A 2278/4885CA2 1641/4885CA12 667/4885
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 RAB9A 4512/4885CA2 375/4885CA12 215/4885

“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.