SCHEMBL1216865

SCHEMBL1216865

Cc1ccccc1-n1nccc1-c1cc(S(=O)(=O)N(C)Cc2ccccc2OCCN)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.47
HSP90AB1 P08238 2/20 0.36
NR3C2 P08235 2/20 0.36
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL1218010 0.93 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2HIF1A
SCHEMBL1218508 0.92 HSP90AA1 (0.46) HSP90AA1NR3C2HTR2ARXFP1SMN1; SMN2
SCHEMBL2077566 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2SMN1; SMN2
SCHEMBL1218910 0.91 HSP90AA1 (0.45) HSP90AA1HSP90AB1NR3C2HTR2AHTR2C
SCHEMBL1219518 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1NR3C2
SCHEMBL1220280 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1NR3C2
SCHEMBL1219709 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2SMN1; SMN2
SCHEMBL1219860 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR3C2HIF1A
SCHEMBL1218955 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1NR3C2
SCHEMBL1218070 0.88 HSP90AA1 (0.44) HSP90AA1HSP90AB1NR3C2HTR2A

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 2/4885HSP90AB1 1/4885NR3C2 570/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885NR3C2 570/4885

“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.