SCHEMBL646245

SCHEMBL646245

CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 2/20 0.36
TP53 P04637 2/20 0.35
ACLY P53396 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RIPK1 Q13546 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
POLB P06746 1/20 0.34
NR3C1 P04150 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
HSP90AB1 P08238 1/20 0.33
PTGER1 P34995 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
SCHEMBL644619 0.93 HSP90AA1 (0.49) HSP90AA1LMNARXFP1MAPTRORC
SCHEMBL645469 0.93 HSP90AA1 (0.42) HSP90AA1LMNARXFP1MAPTRORC
SCHEMBL646966 0.93 HSP90AA1 (0.52) HSP90AA1LMNARXFP1MAPTTP53
SCHEMBL645541 0.92 HSP90AA1 (0.51) HSP90AA1LMNARXFP1MAPTRORC
SCHEMBL646690 0.91 HSP90AA1 (0.48) HSP90AA1LMNARXFP1RORCTP53
SCHEMBL646667 0.89 HSP90AA1 (0.51) HSP90AA1LMNARXFP1MAPTTP53
SCHEMBL646372 0.88 HSP90AA1 (0.50) HSP90AA1LMNATP53ACLYALDH1A1
SCHEMBL645832 0.88 HSP90AA1 (0.48) HSP90AA1TP53ALDH1A1HPGDPOLB
SCHEMBL647209 0.88 HSP90AA1 (0.49) HSP90AA1RXFP1TP53ACLYPOLB
SCHEMBL646642 0.87 HSP90AA1 (0.52) HSP90AA1LMNARORCTP53ALDH1A1

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 2/4885LMNA 3864/4885RXFP1 3295/4885

“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.