SCHEMBL22005135

SCHEMBL22005135

O=S(=O)(Nc1ccc(Cl)cc1I)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
ERBB2 P04626 1/20 0.54
ACLY P53396 5/20 0.51
WDR5 P61964 4/20 0.50
PTGES2 Q9H7Z7 2/20 0.48
MCL1 Q07820 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
SLC22A12 Q96S37 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL22005134 0.80 NPC1 (0.66) ACLYWDR5TSHRMEN1KMT2A
SCHEMBL2766570 0.79 ERBB2 (0.68) HSP90AA1HSP90AB1ERBB2ACLYHKDC1
SCHEMBL22005133 0.79 ACLY (0.62) ACLYMCL1TSHRHPGD
SCHEMBL22004216 0.76 ACLY (0.55) ACLYMCL1TSHRHPGD
SCHEMBL22021605 0.76 ACLY (0.66) ACLYWDR5
SCHEMBL22004211 0.74 ACLY (0.64) ACLYWDR5
SCHEMBL29859117 0.73 WDR5 (0.55) ACLYWDR5PTGES2
SCHEMBL2765953 0.73 GLO1 (0.55)
SCHEMBL4143797 0.72 KIF11 (0.46) MCL1TSHRHPGDMEN1KMT2A
SCHEMBL28591171 0.71 APP (0.61) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG HSP90AA1 2069/4885HSP90AB1 1582/4885ERBB2 4488/4885

“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.