SCHEMBL646963

SCHEMBL646963

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2ccncc2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.43
HSP90AB1 P08238 8/20 0.40
POLB P06746 2/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
AKT1 P31749 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
SCHEMBL645783 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1POLBALDH1A1HPGD
SCHEMBL647638 0.92 HSP90AA1 (0.53) HSP90AA1HSP90AB1POLBNAMPTALDH1A1
SCHEMBL646952 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1POLBHPGDTHRB
SCHEMBL646372 0.91 HSP90AA1 (0.50) HSP90AA1HSP90AB1POLBNAMPTALDH1A1
SCHEMBL644540 0.90 HSP90AA1 (0.43) HSP90AA1HSP90AB1POLBNAMPT
SCHEMBL647278 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1POLBTHRBRXFP1
SCHEMBL646605 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1POLBRXFP1
SCHEMBL645469 0.86 HSP90AA1 (0.42) HSP90AA1HSP90AB1POLBRXFP1
SCHEMBL644571 0.86 HSP90AA1 (0.42) HSP90AA1HSP90AB1POLBALDH1A1HPGD
SCHEMBL646733 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1POLBNAMPTALDH1A1

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 2/4885HSP90AB1 1/4885POLB 3458/4885

“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.