SCHEMBL20154151

SCHEMBL20154151

CC(C)NC(C(=O)C(C)C)C(C)(C)S

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL14130636 0.82 TDP1 (0.32)
SCHEMBL19361685 0.82 TDP1 (0.32)
SCHEMBL21216244 0.80 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL28528975 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1
SCHEMBL21374403 0.80 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL24312140 0.80 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL31094181 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1
SCHEMBL21216198 0.78
SCHEMBL20154200 0.77 ALDH1A1 (0.31) ALDH1A1MAPTPTGS1
SCHEMBL19361691 0.76 TDP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain OHIO STATE INNOVATION FOUNDATION (US) 2023-10-24 US disclosed
US-20220160819-A1 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 US disclosed
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION 2021-02-11 US disclosed
WO-2019148195-A2 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO disclosed
WO-2018089648-A2 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-05-17 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 (3 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-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN ALDH1A1 4242/4885MAPT 2619/4885PTGS1 4165/4885
US-20220160819-A1 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF IKBKE, IKBKB, SHARPIN ALDH1A1 4859/4885MAPT 4355/4885PTGS1 818/4885
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN ALDH1A1 4242/4885MAPT 2619/4885PTGS1 4165/4885

“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.