SCHEMBL22005134

SCHEMBL22005134

COc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1I

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
TSHR P16473 1/20 0.66
WDR5 P61964 4/20 0.55
ACLY P53396 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ALPL P05186 3/20 0.49
SLC22A12 Q96S37 1/20 0.49
MYC P01106 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
BRD4 O60885 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL27908886 0.86 TSHR (0.69) NPC1TSHRWDR5ACLYMEN1
SCHEMBL4863945 0.80 TSHR (0.60) NPC1TSHRWDR5ACLYMEN1
SCHEMBL7572911 0.80 NPC1 (1.00) NPC1TSHRWDR5MEN1KMT2A
SCHEMBL22005135 0.80 HSP90AA1 (0.54) NPC1TSHRWDR5ACLYMEN1
SCHEMBL7594909 0.79 NPC1 (0.89) NPC1TSHRWDR5MEN1KMT2A
SCHEMBL3252007 0.78 TSHR (0.58) NPC1TSHRWDR5ACLYMEN1
SCHEMBL4865757 0.77 TSHR (0.57) NPC1TSHRWDR5ACLYMEN1
SCHEMBL23014188 0.77 ALDH1A1 (0.71) NPC1TSHRACLYMEN1KMT2A
SCHEMBL22004398 0.76 EIF2AK4 (0.51) NPC1TSHRWDR5ALPL
SCHEMBL2766570 0.76 ERBB2 (0.68) ACLYALDH1A1

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 NPC1 1013/4885TSHR 4803/4885WDR5 1721/4885

“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.