SCHEMBL4713545

SCHEMBL4713545

O=C(O)COCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALDH1A1 P00352 2/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CASP6 P55212 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4714267 0.90 TSHR (0.54) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4762292 0.89 MAPK1 (0.58) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL14290267 0.88 KMT2A (0.58) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4716905 0.88 KMT2A (0.58) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4716188 0.88 AGTR1 (0.53) TSHRALDH1A1MAPTPOLBCASP6
SCHEMBL4713903 0.85 MEN1 (0.49) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4713369 0.84 LMNA (0.50) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4714290 0.83 TSHR (0.50) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4715406 0.83 LMNA (0.62) TSHRALDH1A1MCOLN3MAPTKDM4E
SCHEMBL4716303 0.83 MEN1 (0.51) TSHRALDH1A1MCOLN3MAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
EP-1615904-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2006-01-18 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
WO-2004092135-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA (SE) 2004-10-28 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 (1 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-20070021606-A1 Therapeutic compounds GRIN1, GRIN3A, GRM2 TSHR 685/4885ALDH1A1 1721/4885MCOLN3 2415/4885

“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.