SCHEMBL646966

SCHEMBL646966

CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.52
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ACLY P53396 1/20 0.37
HSP90AB1 P08238 1/20 0.37
APP P05067 1/20 0.36
TEX264 Q9Y6I9 1/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL646667 0.94 HSP90AA1 (0.51) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL646372 0.94 HSP90AA1 (0.50) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL646245 0.93 HSP90AA1 (0.49) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL647209 0.93 HSP90AA1 (0.49) HSP90AA1TP53POLBMEN1KMT2A
SCHEMBL644619 0.93 HSP90AA1 (0.49) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL646690 0.91 HSP90AA1 (0.48) HSP90AA1TP53ALDH1A1HPGDLMNA
SCHEMBL645832 0.91 HSP90AA1 (0.48) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL646642 0.90 HSP90AA1 (0.52) HSP90AA1TP53POLBALDH1A1LMNA
SCHEMBL645783 0.90 HSP90AA1 (0.46) HSP90AA1TP53POLBALDH1A1HPGD
SCHEMBL645947 0.89 HSP90AA1 (0.55) HSP90AA1TP53POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US claimed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 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
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
CN-101119978-A HSP90-inhibiting triazole derivatives MERCK PATENT GMBH (DE) 2008-02-06 CN claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
CN-101119978-B HSP 90-inhibiting triazole derivatives MERCK PATENT GMBH 2012-05-23 CN disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
CN-101119978-A HSP90-inhibiting triazole derivatives MERCK PATENT GMBH (DE) 2008-02-06 CN 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885TP53 719/4885POLB 3458/4885
US-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885TP53 583/4885POLB 3914/4885

“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.