SCHEMBL306820

SCHEMBL306820

CS(=O)(=O)Oc1ccc(S(=O)(=O)O)cc1Cl.[Na]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGS2 P35354 3/20 0.39
S1PR3 Q99500 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10172738 1.00 ALDH1A1 (0.40) ALDH1A1MAPTCASP6KMT2ASMN1; SMN2
SCHEMBL306818 0.98 ALDH1A1 (0.39) ALDH1A1MAPTCASP6KMT2ASMN1; SMN2
SCHEMBL307756 0.84 PTGS2 (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2PTGS2
SCHEMBL306819 0.83 LMNA (0.43) ALDH1A1MAPTKMT2APTGS2
SCHEMBL18700930 0.82 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2PTGS2
SCHEMBL9751922 0.82 SMN1; SMN2 (0.47) MAPTKMT2ASMN1; SMN2MRGPRX4PTGDR2
SCHEMBL10498837 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2PTGS2
Hydrochloric Acid SCHEMBL28105953 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2PTGS2
Nitrogen SCHEMBL28639385 0.79 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2PTGS2
SCHEMBL12909005 0.79 MCOLN3 (0.43) ALDH1A1KMT2APTGS2S1PR3POLB

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
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 ALDH1A1 1209/4885MAPT 4467/4885CASP6 4063/4885
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 ALDH1A1 625/4885MAPT 4869/4885CASP6 3395/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 ALDH1A1 1841/4885MAPT 4768/4885CASP6 3167/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 ALDH1A1 1209/4885MAPT 4467/4885CASP6 4063/4885

“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.