SCHEMBL4037586

SCHEMBL4037586

N#Cc1cccc(S(=O)(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.44
AKR1C3 P42330 4/20 0.42
AKR1C1 Q04828 1/20 0.42
SCN9A Q15858 3/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
GBA1 P04062 1/20 0.39
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
AKR1C2 P52895 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
SCHEMBL4038921 0.93 AKR1C3 (0.46) CSNK1EAKR1C3AKR1C1SCN9ACTSG
SCHEMBL4040943 0.90 GBA1 (0.43) CSNK1EAKR1C3AKR1C1CTSGCMA1
SCHEMBL13964223 0.89 CSNK1E (0.42) CSNK1EAKR1C3AKR1C1SCN9ACTSG
SCHEMBL4044206 0.87 KMT2A (0.42) CSNK1EAKR1C3KMT2A
SCHEMBL4036903 0.86 CSNK1E (0.42) CSNK1EAKR1C3AKR1C1GBA1KMT2A
SCHEMBL4038486 0.84 KMT2A (0.45) CTSGCMA1KMT2A
SCHEMBL4037080 0.84 HTT (0.48) CSNK1EGBA1USP2
SCHEMBL4043222 0.83 GBA1 (0.42) GBA1KMT2AUSP2
SCHEMBL4047940 0.81 LSS (0.37) CSNK1EGBA1KMT2AUSP2CYP3A4
SCHEMBL4036996 0.81 SMN1; SMN2 (0.39) CSNK1EGBA1KMT2A

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 5 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-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

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 CSNK1E 136/4885AKR1C3 2245/4885AKR1C1 2041/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885AKR1C3 1329/4885AKR1C1 1636/4885

“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.