SCHEMBL21998546

SCHEMBL21998546

CC(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCN2C(=O)C=CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 4/20 0.42
▸ SIRT5 Q9NXA8 3/20 0.41
▸ NPY4R P50391 4/20 0.40
▸ NPY5R Q15761 4/20 0.40
▸ NPY1R P25929 3/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ SIRT2 Q8IXJ6 5/20 0.39
▸ SIRT1 Q96EB6 5/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ SIRT3 Q9NTG7 2/20 0.38

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
SCHEMBL23330066 0.96 FAP (0.47) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL24829566 0.96 FAP (0.47) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL20340669 0.93 FAP (0.42) FAPNPY4RNPY5RNPY1RNPY2R
SCHEMBL21065668 0.93 FAP (0.42) FAPNPY4RNPY5RNPY1RNPY2R
SCHEMBL19709466 0.93 FAP (0.42) FAPNPY4RNPY5RNPY1RNPY2R
SCHEMBL20864078 0.91 FAP (0.41) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL18911020 0.91 SIRT2 (0.40) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL23436440 0.91 FAP (0.44) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL23420078 0.91 FAP (0.48) FAPSIRT5NPY4RNPY5RNPY1R
SCHEMBL20733059 0.91 FAP (0.48) FAPSIRT5NPY4RNPY5RNPY1R

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-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 — — US disclosed
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-05-14 — — 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-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 FAP 4580/4885SIRT5 4025/4885NPY4R 4746/4885
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 FAP 4580/4885SIRT5 4025/4885NPY4R 4746/4885

“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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