SCHEMBL4046713

SCHEMBL4046713

COc1ccc(S(=O)(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 7/20 0.46
PKM P14618 6/20 0.46
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
HSD11B1 P28845 2/20 0.44
GBA1 P04062 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6632666 0.92 LMNA (0.47) LMNAALDH1A1PKMNPC1PKLR
SCHEMBL4044206 0.90 KMT2A (0.42) ALDH1A1PKMNPC1MEN1KMT2A
SCHEMBL4045127 0.89 GBA1 (0.46) LMNAALDH1A1PKMHSD11B1GBA1
SCHEMBL4036996 0.89 SMN1; SMN2 (0.39) ALDH1A1NPC1GBA1MEN1KMT2A
SCHEMBL4043222 0.89 GBA1 (0.42) LMNAALDH1A1PKMGBA1MEN1
SCHEMBL4041961 0.87 PKM (0.47) ALDH1A1PKMGBA1ALOX15MEN1
SCHEMBL4037674 0.87 CSNK1E (0.42) LMNAALDH1A1PKMALOX15MEN1
SCHEMBL13964081 0.85 KMT2A (0.37) PKMMEN1KMT2A
SCHEMBL4047940 0.85 LSS (0.37) GBA1CYP3A4CYP2D6KMT2ATP53
SCHEMBL4040943 0.85 GBA1 (0.43) ALDH1A1PKMPKLRGBA1CYP3A4

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 7 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
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 LMNA 3702/4885ALDH1A1 3369/4885PKM 1068/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS LMNA 4110/4885ALDH1A1 4117/4885PKM 3366/4885

“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.