SCHEMBL644660

SCHEMBL644660

COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
RAB9A P51151 2/20 0.37
HSP90AB1 P08238 1/20 0.36
RBP4 P02753 1/20 0.35
LMNA P02545 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
ACLY P53396 2/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTT P42858 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 0.93 HSP90AA1 (0.43) HSP90AA1RAB9AHSP90AB1LMNANPSR1
SCHEMBL646699 0.93 HSP90AA1 (0.49) HSP90AA1HSP90AB1GAAMAPTALDH1A1
SCHEMBL645804 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1NPSR1ALDH1A1TSHR
SCHEMBL647555 0.92 HSP90AA1 (0.49) HSP90AA1RAB9AHSP90AB1LMNANPSR1
SCHEMBL646642 0.89 HSP90AA1 (0.52) HSP90AA1HSP90AB1LMNAALDH1A1POLB
SCHEMBL644577 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNANPSR1GAA
SCHEMBL646140 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAMAPK1ALDH1A1
SCHEMBL646245 0.85 HSP90AA1 (0.49) HSP90AA1HSP90AB1LMNAMAPTALDH1A1
SCHEMBL645274 0.85 HSP90AA1 (0.49) HSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL646966 0.85 HSP90AA1 (0.52) HSP90AA1HSP90AB1LMNAMAPTALDH1A1

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 2/4885RAB9A 2229/4885HSP90AB1 1/4885

“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.