SCHEMBL24004559

SCHEMBL24004559

CC(=O)N[C@@H](CCCCNC(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ FOLH1 Q04609 7/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ GNPAT O15228 2/20 0.47
▸ ALB P02768 2/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ NOD1 Q9Y239 2/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL23513617 0.83 SIRT1 (0.40) SMN1; SMN2FOLH1ALDH1A1KDM4EALB
SCHEMBL2735591 0.82 FOLH1 (0.71) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL18377220 0.82 FOLH1 (0.40) SMN1; SMN2FOLH1ALDH1A1KDM4ENOD1
SCHEMBL21673279 0.82 FOLH1 (0.54) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL13262513 0.82 FOLH1 (0.40) SMN1; SMN2FOLH1ALDH1A1KDM4ENOD1
SCHEMBL13595628 0.82 FOLH1 (0.54) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL1200060 0.82 FOLH1 (0.71) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL16393150 0.82 FOLH1 (0.71) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL20682458 0.82 SIRT6 (0.40) SMN1; SMN2FOLH1ALDH1A1KDM4EMAPT
SCHEMBL15160689 0.82 NOD1 (0.44) SMN1; SMN2FOLH1ALDH1A1GNPATNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 — — 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-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 SMN1; SMN2 4470/4885FOLH1 3407/4885ALDH1A1 235/4885

“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.

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