SCHEMBL646597

SCHEMBL646597

CN(Cc1ccccc1OCCN)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 1/20 0.34
GAA P10253 1/20 0.34
CARM1 Q86X55 2/20 0.31
PRMT1 Q99873 2/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RX7 Q99572 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
SCHEMBL645309 0.93 HSP90AA1 (0.47) HSP90AA1HSP90AB1TSHRHTTSMN1; SMN2
SCHEMBL10180014 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2P2RX7
SCHEMBL645400 0.92 HSP90AA1 (0.48) HSP90AA1HSP90AB1GAA
SCHEMBL644205 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL646871 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1GAACARM1PRMT1
SCHEMBL646532 0.91 HSP90AA1 (0.49) HSP90AA1HSP90AB1GAASMN1; SMN2
SCHEMBL646699 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1GAATSHRHTT
SCHEMBL646252 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL644884 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL646642 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1SMN1; SMN2

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 1/4885GAA 912/4885

“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.