SCHEMBL22184192

SCHEMBL22184192

CC(C)[C@H](NC(=O)Cc1ccc(N2C(=O)CCC2=O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 1/20 0.42
▸ C3AR1 Q16581 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ FURIN P09958 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ALB P02768 2/20 0.35

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
SCHEMBL23106266 0.79 FURIN (0.36) CTDSP1FURINPOLBKMT2AAKT1
SCHEMBL23106288 0.79 FURIN (0.38) SHMT1CTDSP1FURINPOLBKMT2A
SCHEMBL23106135 0.79 FURIN (0.36) CTDSP1FURINPOLBKMT2AAKT1
SCHEMBL22184191 0.77 SMN1; SMN2 (0.43) C3AR1CTDSP1FURINPOLBHPGD
SCHEMBL30831346 0.77 FURIN (0.38) FURINNPY1R
SCHEMBL7743368 0.76 FURIN (0.36) SHMT1C3AR1CTDSP1FURINPOLB
SCHEMBL29385639 0.75 C3AR1 (0.45) SHMT1C3AR1CTDSP1FURINPOLB
SCHEMBL25597931 0.74 C3AR1 (0.41) SHMT1C3AR1CTDSP1FURINPOLB
SCHEMBL3797302 0.74 FURIN (0.37) SHMT1C3AR1CTDSP1FURINPOLB
SCHEMBL26695488 0.73 FURIN (0.46) FURINPOLBKMT2AMEN1HPGD

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
EP-3630732-B1 METHOD AND MOLECULES MEDIMMUNE LLC (US) 2023-07-12 — — EP disclosed
US-20200206359-A1 Method And Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-02 — — 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-20200206359-A1 Method And Molecules PAICS, EPCAM, SQLE SHMT1 865/4885C3AR1 18/4885CTDSP1 2466/4885

“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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