SCHEMBL23256415

SCHEMBL23256415

CC(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ NPY4R P50391 4/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ FAP Q12884 1/20 0.37
▸ FURIN P09958 5/20 0.36
▸ CTSL P07711 1/20 0.36
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ TYMS P04818 1/20 0.33
▸ GART P22102 1/20 0.33
▸ ATIC P31939 1/20 0.33

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
SCHEMBL20887736 0.92 FAP (0.37) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL23420959 0.92 FAP (0.37) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL19681467 0.91 PTGS1 (0.45) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL21474404 0.91 PTGS1 (0.45) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL27421373 0.91 FAP (0.36) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL23105973 0.90 PTGS1 (0.41) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL20864068 0.89 NPY5R (0.35) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL18909056 0.89 NPY5R (0.35) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL23106109 0.88 PTGS1 (0.39) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL18909077 0.87 NMT1 (0.48) NPY4RNPY5RNPY1RNPY2RNMT2

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-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 — — US disclosed
US-20210113706-A1 MODIFIED SELF-IMMOLATING MOIETIES FOR USE IN PRODRUGS AND CONJUGATES AND METHODS OF USING AND MAKING BRISTOL-MYERS SQUIBB COMPANY 2021-04-22 — — 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-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making PAICS, UGT1A1, CYP7A1 PTGS1 2687/4885PTGS2 3738/4885NPY4R 3701/4885
US-20210113706-A1 MODIFIED SELF-IMMOLATING MOIETIES FOR USE IN PRODRUGS AND CONJUGATES AND METHODS OF USING AND MAKING PAICS, UGT1A1, CYP7A1 PTGS1 2687/4885PTGS2 3738/4885NPY4R 3701/4885

“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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