SCHEMBL645541

SCHEMBL645541

CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.51
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 2/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.35
RIPK1 Q13546 1/20 0.33
TAS2R14 Q9NYV8 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
SCHEMBL645469 0.92 HSP90AA1 (0.42) HSP90AA1MAPTLMNARXFP1RORC
SCHEMBL646245 0.92 HSP90AA1 (0.49) HSP90AA1MAPTLMNARXFP1RORC
SCHEMBL646621 0.91 HSP90AA1 (0.52) HSP90AA1MAPTRXFP1RORCTAS2R14
SCHEMBL647188 0.91 HSP90AA1 (0.52) HSP90AA1L3MBTL1RORCRIPK1TAS2R14
SCHEMBL645947 0.91 HSP90AA1 (0.55) HSP90AA1MAPTLMNATP53
SCHEMBL645560 0.87 HSP90AA1 (0.54) HSP90AA1MAPTRXFP1
SCHEMBL645737 0.87 HSP90AA1 (0.54) HSP90AA1RXFP1TP53
SCHEMBL646690 0.87 HSP90AA1 (0.48) HSP90AA1LMNARXFP1L3MBTL1RORC
SCHEMBL644649 0.87 HSP90AA1 (0.51) HSP90AA1MAPTLMNARXFP1L3MBTL1
SCHEMBL647638 0.86 HSP90AA1 (0.53) HSP90AA1

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 2/4885MAPT 1840/4885LMNA 3864/4885

“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.