SCHEMBL2114576

SCHEMBL2114576

CS(=O)(=O)N(Cc1ccccc1)c1ncc(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
GBA1 P04062 1/20 0.38
NR1I2 O75469 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL5761774 0.98 ALDH1A1 (0.55) ALDH1A1L3MBTL1TSHRHTTGAA
SCHEMBL5761769 0.97 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRHTTGAA
SCHEMBL2112891 0.87 GRM2 (0.47) ALDH1A1L3MBTL1TSHRHTTSMN1; SMN2
SCHEMBL20394335 0.76 LMNA (0.48) ALDH1A1TSHRHTTSMN1; SMN2GBA1
SCHEMBL12808838 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRHTTGAA
SCHEMBL2111862 0.73 TSPO (0.50) ALDH1A1L3MBTL1TSHRGAASMN1; SMN2
SCHEMBL2113204 0.73 ALDH1A1 (0.43) ALDH1A1HTTGAASMN1; SMN2MEN1
SCHEMBL7095387 0.70 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL18438489 0.69 ALDH1A1 (0.62) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL2113176 0.68 EDNRA (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US 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 (2 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ALDH1A1 284/4885L3MBTL1 4834/4885TSHR 2760/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ALDH1A1 284/4885L3MBTL1 4834/4885TSHR 2760/4885

“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.