SCHEMBL645488

SCHEMBL645488

CN(Cc1ccccc1OCC(N)=O)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.51
KCNN4 O15554 2/20 0.42
HSP90AB1 P08238 2/20 0.40
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 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
SCHEMBL644657 0.93 HSP90AA1 (0.47) HSP90AA1KCNN4HSP90AB1LMNASMN1; SMN2
SCHEMBL646532 0.91 HSP90AA1 (0.49) HSP90AA1HSP90AB1LMNASMN1; SMN2KMT2A
SCHEMBL645400 0.91 HSP90AA1 (0.48) HSP90AA1KCNN4HSP90AB1HSD17B10RAB9A
SCHEMBL644635 0.90 HSP90AA1 (0.51) HSP90AA1KCNN4HSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL645378 0.89 HSP90AA1 (0.48) HSP90AA1KCNN4HSP90AB1MEN1KMT2A
SCHEMBL10179897 0.89 HSP90AA1 (0.49) HSP90AA1HSP90AB1LMNASMN1; SMN2ALDH1A1
SCHEMBL648073 0.87 HSP90AA1 (0.46) HSP90AA1KCNN4HSP90AB1ALDH1A1
SCHEMBL646679 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL645743 0.87 HSP90AA1 (0.46) HSP90AA1KCNN4HSP90AB1
SCHEMBL646628 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2MEN1ALDH1A1

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 2/4885KCNN4 4837/4885HSP90AB1 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.