SCHEMBL5621178

SCHEMBL5621178

Cc1cccc(Oc2ccc3c(c2)S(=O)(=O)NCC3)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 11/20 0.59
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LYN P07948 1/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
EZH2 Q15910 1/20 0.37
AOC3 Q16853 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
SCHEMBL5620465 0.86 GRIA2 (0.54) GRIA2FFAR1FFAR4AOC3
SCHEMBL13488121 0.80 CA1 (0.45) GRIA2ALDH1A1AOC3
SCHEMBL5619678 0.72 GRIA2 (0.73) GRIA2ALDH1A1
SCHEMBL2152720 0.71 GRIA2 (1.00) GRIA2
SCHEMBL21266522 0.70 CA1 (0.49) GRIA2ALDH1A1AOC3
SCHEMBL30485944 0.70 CA1 (0.49) GRIA2ALDH1A1AOC3
SCHEMBL5185098 0.70 KMT2A (0.48) ALDH1A1TDP1L3MBTL1AOC3
SCHEMBL11961604 0.69 ALDH1A1 (0.54) GRIA2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL14159539 0.69 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1LYN
SCHEMBL10013917 0.69 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1LYN

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
US-7253161-B2 Benzothiazine and benzothiadiazine derivatives method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-08-07 US disclosed
CN-1289509-C Benzothiazine and benzothiadiazine derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2006-12-13 CN disclosed
US-20050124606-A1 Novel benzothiazine and benzothiadiazine derivatives method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-06-09 US disclosed
CN-1606560-A Benzothiazine and benzothiadiazine derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2005-04-13 CN 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-20050124606-A1 Novel benzothiazine and benzothiadiazine derivatives method for preparing same and pharmaceutical compositions containing same NR4A3, NR5A2, NR4A1 GRIA2 537/4885ALDH1A1 2161/4885HTT 587/4885

“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.