SCHEMBL1219294

SCHEMBL1219294

COc1ccc(F)cc1CN(C)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.47
HSP90AB1 P08238 1/20 0.39
S1PR1 P21453 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR3C2 P08235 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
CHRNE Q04844 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1219860 0.94 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAPTALDH1A1NPSR1
SCHEMBL1218767 0.92 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1NR3C2KDM4E
SCHEMBL1219950 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2KDM4ECHRNE
SCHEMBL1219128 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTALDH1A1NPSR1
SCHEMBL1217298 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTALDH1A1NPSR1
SCHEMBL1218940 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1NR3C2CHRNE
SCHEMBL1218724 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1NR3C2KDM4E
SCHEMBL1218354 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR3C2KMT2ARXFP1
SCHEMBL1219650 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1NR3C2KMT2A
SCHEMBL1218010 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1NR3C2KMT2A

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 1/4885S1PR1 3499/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885S1PR1 3499/4885

“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.