SCHEMBL16767779

SCHEMBL16767779

CCNC(Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@H](C=O)Cc1cnc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.48
REN P00797 6/20 0.45
SLC6A5 Q9Y345 1/20 0.43
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
CAPN1 P07384 2/20 0.42
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL11117873 0.81 HRH3 (0.47) CYP3A4ALDH1A1CYP1A2SLC7A5
SCHEMBL17119231 0.81 HRH3 (0.47) CYP3A4ALDH1A1CYP1A2SLC7A5
SCHEMBL31056938 0.78 CTSL (0.45) SLC15A2RENSLC6A5ACE2
SCHEMBL26312334 0.78 SLC15A2 (0.64) SLC15A2RENCYP3A4SLC7A5
SCHEMBL1666697 0.77 ALDH1A1 (0.58) SLC15A2SLC6A5ITGB2ICAM1ITGAL
SCHEMBL18748750 0.77 CYP3A4 (0.49) RENSLC6A5ITGB2ICAM1ITGAL
SCHEMBL14883199 0.77 CA1 (0.51) SLC15A2RENITGB2ICAM1ITGAL
SCHEMBL14883104 0.77 CA1 (0.51) SLC15A2RENITGB2ICAM1ITGAL
SCHEMBL13863500 0.76 CYP3A4 (0.46) ITGB2ICAM1ITGALCYP3A4ALDH1A1
SCHEMBL508741 0.76 HRH3 (0.49)

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-9731029-B2 Protein retrosplicing enabled by a double ligation reaction MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-08-15 US disclosed
US-20150152134-A1 PROTEIN RETROSPLICING ENABLED BY A DOUBLE LIGATION REACTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-06-04 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 (1 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-20150152134-A1 PROTEIN RETROSPLICING ENABLED BY A DOUBLE LIGATION REACTION COASY, LYPLA1, LYPLA2 SLC15A2 2201/4885REN 2039/4885SLC6A5 2212/4885

“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.