SCHEMBL25875020

SCHEMBL25875020

CC(C)C(C)C(=O)NC(CCCNC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.47
▸ NOD1 Q9Y239 3/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ FOLH1 Q04609 4/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ SHMT1 P34896 1/20 0.39
▸ ECE1 P42892 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL12222096 1.00 C3AR1 (0.47) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL11913625 1.00 C3AR1 (0.47) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL25148126 0.88 SIRT5 (0.38) C3AR1NOD1CTDSP1FOLH1ECE1
SCHEMBL24804881 0.88 C3AR1 (0.49) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL29359380 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16862613 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL6047671 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL28819908 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16862522 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16801786 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT

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-20230271999-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2023-08-31 — — US disclosed
US-11707531-B2 Compounds, compositions, and methods for the treatment of disease F-star Therapeutics, Inc. (GB) 2023-07-25 — — 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 (2 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-20230271999-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, MAVS, IRF3 C3AR1 696/4885NOD1 90/4885CTDSP1 2450/4885
US-11707531-B2 Compounds, compositions, and methods for the treatment of disease STING1, MAVS, IRF3 C3AR1 696/4885NOD1 90/4885CTDSP1 2450/4885

“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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