SCHEMBL1219632

SCHEMBL1219632

Cc1cccc(CN(C)S(=O)(=O)c2cc(-c3ccnn3-c3ccccc3F)c(O)cc2O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.49
HSP90AB1 P08238 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RIPK1 Q13546 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
POLB P06746 1/20 0.33
TAS2R14 Q9NYV8 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
SCHEMBL1217998 0.92 HSP90AA1 (0.50) HSP90AA1PDE10ANR3C2ALDH1A1HPGD
SCHEMBL1219682 0.92 HSP90AA1 (0.53) HSP90AA1PDE10ANR3C2ALDH1A1HPGD
SCHEMBL1219038 0.91 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR3C2ALDH1A1HPGD
SCHEMBL1217594 0.91 HSP90AA1 (0.51) HSP90AA1PDE10ANR3C2HPGDSMN1; SMN2
SCHEMBL1219026 0.90 HSP90AA1 (0.48) HSP90AA1PDE10ANR3C2ALDH1A1HPGD
SCHEMBL1219140 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1NR3C2ALDH1A1HPGD
SCHEMBL1219638 0.88 HSP90AA1 (0.52) HSP90AA1PDE10ANR3C2SMN1; SMN2RXFP1
SCHEMBL1219470 0.88 HSP90AA1 (0.52) HSP90AA1PDE10ANR3C2ALDH1A1HPGD
SCHEMBL1218546 0.88 HSP90AA1 (0.49) HSP90AA1NR3C2ALDH1A1SMN1; SMN2
SCHEMBL1216909 0.86 HSP90AA1 (0.53) HSP90AA1PDE10ANR3C2SMN1; SMN2PDE11A

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-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
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 1/4885PDE10A 3712/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDE10A 3712/4885

“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.