SCHEMBL1218307

SCHEMBL1218307

COc1ccccc1CN(C)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.47
HSP90AB1 P08238 1/20 0.37
TP53 P04637 2/20 0.36
NR3C2 P08235 2/20 0.35
MAOB P27338 1/20 0.35
P2RX7 Q99572 2/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNN4 O15554 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1219950 0.94 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2P2RX7
SCHEMBL1216721 0.93 HSP90AA1 (0.45) HSP90AA1P2RX7HTTSMN1; SMN2GAA
SCHEMBL1217395 0.93 HSP90AA1 (0.46) HSP90AA1NR3C2TSHRHTTSMN1; SMN2
SCHEMBL1217338 0.92 HSP90AA1 (0.51) HSP90AA1TP53NR3C2TSHRGAA
SCHEMBL1218721 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1NR3C2P2RX7GAA
SCHEMBL1219860 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR3C2MAOBGAA
SCHEMBL1218808 0.90 HSP90AA1 (0.45) HSP90AA1NR3C2P2RX7SMN1; SMN2
SCHEMBL1218910 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1NR3C2P2RX7GAA
SCHEMBL1216013 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1NR3C2SMN1; SMN2GAA
SCHEMBL1218940 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR3C2MAOBSMN1; SMN2

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-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS EGGENWEILER HANS-MICHAEL 2011-02-03 US claimed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US claimed

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 2/4885HSP90AB1 1/4885TP53 873/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885TP53 873/4885

“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.