SCHEMBL22021494

SCHEMBL22021494

CC(C)(C)OC(=O)[C@H](CCCCNC(=S)CCc1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.44
▸ SIRT2 Q8IXJ6 6/20 0.44
▸ SIRT1 Q96EB6 6/20 0.44
▸ SIRT3 Q9NTG7 2/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ TLR1 Q15399 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CXCR3 P49682 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL24193187 0.94 MDM2 (0.42) MDM2TLR2TLR1KMT2A
SCHEMBL24193189 0.90 MDM2 (0.55) MDM2SIRT2SIRT1SIRT3TLR2
SCHEMBL21963412 0.90 MDM2 (0.55) MDM2SIRT2SIRT1SIRT3TLR2
SCHEMBL22021730 0.90 TLR2 (0.41) MDM2SIRT2SIRT1SIRT3TLR2
SCHEMBL24193273 0.87 MDM2 (0.55) MDM2SIRT2SIRT1TLR2KMT2A
SCHEMBL21963477 0.84 MDM2 (0.42) MDM2SIRT2SIRT1SIRT3TLR2
SCHEMBL21963478 0.84 MDM2 (0.42) MDM2SIRT2SIRT1SIRT3TLR2
SCHEMBL30783495 0.83 TLR2 (0.54) MDM2TLR2TLR1KMT2A
SCHEMBL27261267 0.83 TLR2 (0.54) MDM2TLR2TLR1KMT2A
SCHEMBL22021738 0.83 MDM2 (0.56) MDM2SIRT2SIRT1TLR2KMT2A

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
US-20220009883-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF RATIO THERAPEUTICS, INC. 2022-01-13 — — US disclosed
WO-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 — — WO 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-20220009883-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF ALB, TTR, ABCG2 MDM2 1543/4885SIRT2 1770/4885SIRT1 2817/4885

“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.

Send feedback