SCHEMBL5501908

SCHEMBL5501908

Cn1ncc(NC(=O)[C@@H](O)CCNC(=O)O)c1N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.32
LMNA P02545 1/20 0.30
UTS2R Q9UKP6 1/20 0.30

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
SCHEMBL5499871 0.87 NTRK1 (0.33) NTRK1
SCHEMBL3107481 0.84
SCHEMBL3115689 0.83 ANPEP (0.36)
SCHEMBL20540627 0.83 NTRK1 (0.39) NTRK1LMNAUTS2R
SCHEMBL3123566 0.81 SIRT1 (0.33) NTRK1
SCHEMBL3114440 0.80 SIRT1 (0.37)
SCHEMBL5498488 0.79 HDAC1 (0.35)
SCHEMBL3118910 0.78 NTRK1 (0.34) NTRK1
SCHEMBL3123213 0.77 NTRK1 (0.35) NTRK1LMNAUTS2R
SCHEMBL5497757 0.76 BRD9 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 NTRK1 2964/4885LMNA 2462/4885UTS2R 2281/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 NTRK1 3809/4885LMNA 2913/4885UTS2R 2809/4885

“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.