SCHEMBL6480136

SCHEMBL6480136

CN(C)CC(=O)NC(COCc1ccccc1)C(=O)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.36
PPARA Q07869 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PPARG P37231 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
CTSS P25774 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 1/20 0.33
GHSR Q92847 3/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LPAR1 Q92633 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL6481410 0.88 PPARA (0.34) S1PR1PPARAADORA3ADORA2AADORA1
SCHEMBL6493493 0.88 CTSS (0.40) S1PR1MMP1MMP3CTSSGHSR
SCHEMBL6480795 0.87 F2 (0.39)
SCHEMBL6480782 0.85 GHSR (0.46) GHSR
SCHEMBL6490939 0.85 ALDH1A1 (0.32) S1PR1PPARAADORA3ADORA2AADORA1
SCHEMBL6493904 0.81 S1PR1 (0.40) S1PR1
SCHEMBL6489933 0.80 GHSR (0.37) PPARAPPARGCTSSGHSR
SCHEMBL6482638 0.80 S1PR1 (0.39) S1PR1PPARAPPARGMMP1MMP3
SCHEMBL6491275 0.80 GHSR (0.37) PPARAADORA3ADORA2AADORA1PPARG
SCHEMBL6483067 0.78 HPGDS (0.44) MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts DSM IP ASSETS B.V. (NL) 2005-07-07 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-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT S1PR1 2194/4885PPARA 174/4885ADORA3 4437/4885
US-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts HRH1, HRH4, HRH2 S1PR1 2013/4885PPARA 4841/4885ADORA3 758/4885

“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.