SCHEMBL646699

SCHEMBL646699

COc1ccccc1CN(C)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
HSP90AB1 P08238 1/20 0.42
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.35
P2RX7 Q99572 2/20 0.34
KCNN4 O15554 1/20 0.34
MAPT P10636 1/20 0.33
PTPN11 Q06124 1/20 0.33
USP5 P45974 1/20 0.33
BRAP Q7Z569 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
USP16 Q9Y5T5 1/20 0.33
USP3 Q9Y6I4 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL645804 0.94 HSP90AA1 (0.47) HSP90AA1HSP90AB1TSHRHTTSMN1; SMN2
SCHEMBL644577 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1TSHRHTTSMN1; SMN2
SCHEMBL644660 0.93 HSP90AA1 (0.47) HSP90AA1HSP90AB1TP53TSHRHTT
SCHEMBL646642 0.92 HSP90AA1 (0.52) HSP90AA1HSP90AB1TP53SMN1; SMN2KEAP1
SCHEMBL645831 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOBGAATDP1
SCHEMBL645309 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1TSHRHTTSMN1; SMN2
SCHEMBL644635 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2MAOBKCNN4
SCHEMBL646532 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1SMN1; SMN2GAA
SCHEMBL10180014 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL646597 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1TSHRHTTSMN1; 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 1/4885TP53 719/4885

“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.