SCHEMBL1218005

SCHEMBL1218005

CN(Cc1ccon1)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.47
NR3C2 P08235 1/20 0.36
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SLC16A3 O15427 3/20 0.31
SLC16A1 P53985 3/20 0.31
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2078880 0.90 HSP90AA1 (0.51) HSP90AA1NR3C2EIF4EMKNK1MKNK2
SCHEMBL1219427 0.90 HSP90AA1 (0.49) HSP90AA1NR3C2EIF4EMKNK1MKNK2
SCHEMBL2078872 0.88 HSP90AA1 (0.60) HSP90AA1NR3C2SLC16A3SLC16A1PKM
SCHEMBL1216341 0.86 HSP90AA1 (0.48) HSP90AA1NR3C2TP53MEN1KMT2A
SCHEMBL1217338 0.86 HSP90AA1 (0.51) HSP90AA1NR3C2PDE11ATP53SLC16A3
SCHEMBL2078746 0.86 HSP90AA1 (0.49) HSP90AA1NR3C2PDE11ATP53SLC16A3
SCHEMBL945051 0.85 HSP90AA1 (0.51) HSP90AA1NR3C2PDE11ATP53RAB9A
SCHEMBL1629206 0.85 HSP90AA1 (0.51) HSP90AA1NR3C2PDE11ATP53SLC16A3
SCHEMBL2078876 0.85 HSP90AA1 (0.55) HSP90AA1NR3C2TP53KMT2A
SCHEMBL2079472 0.85 HSP90AA1 (0.47) HSP90AA1NR3C2PDE11ATP53KMT2A

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
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US claimed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US claimed
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS EGGENWEILER HANS-MICHAEL 2011-02-03 US disclosed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 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-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885NR3C2 570/4885EIF4E 563/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885NR3C2 570/4885EIF4E 563/4885

“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.