SCHEMBL644652

SCHEMBL644652

CN(Cc1ccon1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.51
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
EIF4E P06730 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL644537 0.92 HSP90AA1 (0.42) HSP90AA1NPC1PKM
SCHEMBL645773 0.90 HSP90AA1 (0.48) HSP90AA1NPC1RAB9AEIF4EMKNK1
SCHEMBL647317 0.86 HSP90AA1 (0.52) HSP90AA1HSD17B10
SCHEMBL645947 0.85 HSP90AA1 (0.55) HSP90AA1
SCHEMBL646679 0.85 HSP90AA1 (0.55) HSP90AA1
SCHEMBL644915 0.85 HSP90AA1 (0.51) HSP90AA1
SCHEMBL644162 0.85 HSP90AA1 (0.51) HSP90AA1HSD17B10
SCHEMBL645523 0.84 HSP90AA1 (0.51) HSP90AA1HSD17B10
SCHEMBL645737 0.84 HSP90AA1 (0.54) HSP90AA1
SCHEMBL645560 0.84 HSP90AA1 (0.54) 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 2/4885HSD17B10 1432/4885NPC1 634/4885

“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.