SCHEMBL647555

SCHEMBL647555

COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.49
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 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
SCHEMBL645307 0.92 HSP90AA1 (0.43) HSP90AA1MAPTRAB9AHSP90AB1ALDH1A1
SCHEMBL644660 0.92 HSP90AA1 (0.47) HSP90AA1MAPTRAB9AHSP90AB1ALDH1A1
SCHEMBL646628 0.92 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL644635 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL646303 0.89 HSP90AA1 (0.47) HSP90AA1MAPTHSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL645804 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1TSHRSMN1; SMN2
SCHEMBL644848 0.87 HSP90AA1 (0.52) HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL646679 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL647531 0.87 HSP90AA1 (0.49) HSP90AA1RAB9AHSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL644896 0.86 HSP90AA1 (0.45) HSP90AA1MAPTHSP90AB1ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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 (1 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885MAPT 1840/4885RAB9A 2229/4885

“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.