SCHEMBL4441735

SCHEMBL4441735

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 18/20 0.71
▸ NPY1R P25929 11/20 0.71
▸ NPY5R Q15761 9/20 0.71
▸ NPY2R P49146 7/20 0.71

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
SCHEMBL4441700 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29770018 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30713829 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29648052 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4439081 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31710585 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3484757 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30567513 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4439114 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3485342 1.00 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660933-B2 Compositions and methods for inhibition of bacterial infections in human endocervix UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2020-05-26 — — US disclosed
US-20180207226-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF BACTERIAL INFECTIONS IN HUMAN ENDOCERVIX UNIVERSITY OF MARYLAND, COLLEGE PARK 2018-07-26 — — US disclosed
CN-108136211-A For inhibiting the composition of the bacterium infection in people's endocervix and method 马里兰大学派克分院 2018-06-08 — — CN disclosed
WO-2017075573-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF BACTERIAL INFECTIONS IN HUMAN ENDOCERVIX UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2017-05-04 — — WO disclosed
EP-1740601-B1 MYOSIN LIGHT CHAIN KINASE INHIBITORS AND THEIR USE UNIV CHICAGO (US) 2012-12-05 — — EP disclosed
US-7585844-B2 Comprising nonapeptide wherein first three amino acids and last three amino acids of sequence comprise basic amino acids, and wherein inhibitor comprises at least one D-amino acid or at least one non-hydrolyzable bond; may be used to treat intestinal diseases; infectious, ischemic, inflammatory disease THE UNIVERSITY OF CHICAGO (US) 2009-09-08 — — US disclosed
CN-1997660-A Myosin light chain kinase inhibitors and methods of use UNIV CHICAGO (US) 2007-07-11 — — CN disclosed
US-20050261196-A1 Myosin light chain kinase inhibitors and methods of use THE UNIVERSITY OF CHICAGO (US) 2005-11-24 — — 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 (3 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-20050261196-A1 Myosin light chain kinase inhibitors and methods of use MYLK, MYLK2, MYLK3 NPY4R 4668/4885NPY1R 4513/4885NPY5R 4334/4885
US-10660933-B2 Compositions and methods for inhibition of bacterial infections in human endocervix VIP, PIP4K2A, PIP4K2C NPY4R 3278/4885NPY1R 2412/4885NPY5R 2749/4885
US-20180207226-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF BACTERIAL INFECTIONS IN HUMAN ENDOCERVIX VIP, PIP4K2A, PIP4K2C NPY4R 3278/4885NPY1R 2412/4885NPY5R 2749/4885

“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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