SCHEMBL19781292

SCHEMBL19781292

NCNCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 2/20 0.46
GRIA1 P42261 2/20 0.40
AKT1 P31749 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
NPY4R P50391 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPY5R Q15761 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39

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
SCHEMBL23286123 0.92 CALCRL (0.52) CALCRLGRIA1ITGB1ITGA5HDAC8
SCHEMBL16273801 0.89 NPY4R (0.52) CALCRLITGB1ITGA5NPY4RNPY1R
SCHEMBL28474284 0.89 NPY4R (0.52) CALCRLITGB1ITGA5NPY4RNPY1R
SCHEMBL27058431 0.84 CALCRL (0.55) CALCRLNPY4RNPY1RNPY2RNPY5R
SCHEMBL5549711 0.82 SIRT2 (0.40) CALCRLAKT1
SCHEMBL5549718 0.82 SIRT2 (0.40) CALCRLAKT1
SCHEMBL5549713 0.82 SIRT2 (0.40) CALCRLAKT1
SCHEMBL12972291 0.82 ITGB1 (0.46) CALCRLAKT1ITGB1ITGA5HDAC8
SCHEMBL23456780 0.81 HDAC8 (0.48) AKT1ITGB1HDAC8HDAC3HDAC1
SCHEMBL23456781 0.81 HDAC8 (0.48) AKT1ITGB1HDAC8HDAC3HDAC1

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-10570192-B2 Anti-wall teichoic antibodies and conjugates GENENTECH, INC. (US) 2020-02-25 US disclosed
US-20180016325-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES GENENTECH, INC. (US) 2018-01-18 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-10570192-B2 Anti-wall teichoic antibodies and conjugates STT3A, STT3B, DDOST CALCRL 4321/4885GRIA1 1669/4885AKT1 4718/4885
US-20180016325-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES STT3A, STT3B, DDOST CALCRL 4321/4885GRIA1 1669/4885AKT1 4718/4885

“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.