SCHEMBL20966573

SCHEMBL20966573

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.38
▸ FURIN P09958 2/20 0.38
▸ CIT O14578 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PDF Q9HBH1 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL16770343 0.89 SIRT1 (0.39) SPHK1SPHK2
SCHEMBL16847756 0.89 SPHK1 (0.40) SPHK1SPHK2FURINCITKLKB1
SCHEMBL16392367 0.89 SPHK1 (0.40) SPHK1SPHK2FURINCITKLKB1
SCHEMBL20739105 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL12944390 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL7607468 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL20158427 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL22315797 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL84332 0.87 NPY4R (0.38) SPHK1SPHK2FURIN
SCHEMBL15692085 0.87 NPY4R (0.38) SPHK1SPHK2FURIN

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-10961311-B2 B7-H3 binding molecules, antibody drug conjugates thereof and methods of use thereof MACROGENICS, INC. (US) 2021-03-30 — — US disclosed
US-20190127471-A1 NOVEL B7-H3 BINDING MOLECULES, ANTIBODY DRUG CONJUGATES THEREOF AND METHODS OF USE THEREOF MACROGENICS, INC. 2019-05-02 — — 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 (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-10961311-B2 B7-H3 binding molecules, antibody drug conjugates thereof and methods of use thereof CD274, HRH3, CD2 SPHK1 4599/4885SPHK2 4589/4885FURIN 3879/4885
US-20190127471-A1 NOVEL B7-H3 BINDING MOLECULES, ANTIBODY DRUG CONJUGATES THEREOF AND METHODS OF USE THEREOF CD274, CD2, CD22 SPHK1 4575/4885SPHK2 4542/4885FURIN 3889/4885

“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.

Send feedback