SCHEMBL22022010

SCHEMBL22022010

CC(C)(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SLC6A9 P48067 1/20 0.38
S1PR1 P21453 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
CACNA1H O95180 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
SCHEMBL24835684 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1HRH3ALDH1A1
SCHEMBL24836106 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1HRH3ALDH1A1
SCHEMBL10254329 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1HRH3ALDH1A1
SCHEMBL12312777 0.83 NPSR1 (0.35) HRH3ALDH1A1SMN1; SMN2SIGMAR1CACNA1H
SCHEMBL24193274 0.82 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1HRH3ALDH1A1
SCHEMBL24911013 0.82 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1ALDH1A1SMN1; SMN2
SCHEMBL21128705 0.82 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1HRH3ALDH1A1
SCHEMBL16356926 0.82 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1ALDH1A1SMN1; SMN2
Tetraxetan SCHEMBL5370171 0.81 HSD17B10 (0.58) HSD17B10SLC6A9S1PR1ALDH1A1SMN1; SMN2
SCHEMBL10102885 0.81 ALDH1A1 (0.47) HRH3ALDH1A1SMN1; SMN2SIGMAR1CACNA1H

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
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230001027-A1 METAL CHELATING AGENTS AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-05 US disclosed
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 (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-20230001027-A1 METAL CHELATING AGENTS AND METHODS OF USING THE SAME SLC30A5, SLC30A6, SLC30A7 HSD17B10 4732/4885SLC6A9 645/4885S1PR1 3475/4885
US-20220009883-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF ALB, TTR, ABCG2 HSD17B10 3512/4885SLC6A9 743/4885S1PR1 2825/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP HSD17B10 4091/4885SLC6A9 2675/4885S1PR1 113/4885

“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.