SCHEMBL4036996

SCHEMBL4036996

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
CSNK1E P49674 8/20 0.39
KMT2A Q03164 3/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
GBA1 P04062 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL4044206 0.93 KMT2A (0.42) SMN1; SMN2CSNK1EKMT2AMEN1ALDH1A1
SCHEMBL4045127 0.92 GBA1 (0.46) TSHRKMT2AGBA1MEN1ALDH1A1
SCHEMBL4043222 0.92 GBA1 (0.42) SMN1; SMN2KMT2AIKBKBCHUKGBA1
SCHEMBL4041961 0.90 PKM (0.47) TSHRKMT2AGBA1MEN1ALDH1A1
SCHEMBL4046713 0.89 LMNA (0.46) KMT2AGBA1MEN1ALDH1A1NPC1
SCHEMBL13964081 0.88 KMT2A (0.37) SMN1; SMN2TSHRCSNK1EKMT2AMEN1
SCHEMBL4047940 0.88 LSS (0.37) SMN1; SMN2TSHRCSNK1EKMT2AGBA1
SCHEMBL4040943 0.87 GBA1 (0.43) SMN1; SMN2TSHRCSNK1EKMT2AGBA1
SCHEMBL4039508 0.87 FAAH (0.47) SMN1; SMN2KMT2AGBA1MEN1ALDH1A1
SCHEMBL4036720 0.87 GBA1 (0.43) CSNK1EGBA1ALDH1A1GAA

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 SMN1; SMN2 3785/4885TSHR 3592/4885CSNK1E 136/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SMN1; SMN2 4434/4885TSHR 360/4885CSNK1E 243/4885

“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.