SCHEMBL14883104

SCHEMBL14883104

Nc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC(C=O)Cc2cnc[nH]2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
SLC15A2 Q16348 1/20 0.49
AGTR2 P50052 1/20 0.45
ITGB2 P05107 4/20 0.44
ICAM1 P05362 4/20 0.44
ITGAL P20701 4/20 0.44
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ERAP2 Q6P179 1/20 0.41
PGGT1B P53609 1/20 0.40
REN P00797 1/20 0.40
CAPN1 P07384 1/20 0.39
LNPEP Q9UIQ6 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
SCHEMBL14883199 1.00 CA1 (0.51) CA1CA2SLC15A2AGTR2ITGB2
SCHEMBL16767779 0.77 SLC15A2 (0.48) CA1CA2SLC15A2ITGB2ICAM1
SCHEMBL26312334 0.74 SLC15A2 (0.64) SLC15A2REN
SCHEMBL15942886 0.73 CA1 (0.59) CA1CA2AGTR2ITGB2ICAM1
SCHEMBL31056974 0.71 REN (0.57) FNTAFNTBPGGT1BREN
SCHEMBL14667370 0.70 CA1 (0.50) CA1CA2AGTR2ITGB2ICAM1
SCHEMBL31056946 0.69 FNTA (0.50) ITGB2ICAM1ITGALFNTAFNTB
SCHEMBL7292522 0.69 CTSL (0.57) AGTR2RENCAPN1
SCHEMBL4525493 0.69 CA1 (0.72) CA1CA2AGTR2ITGB2ICAM1
SCHEMBL14817971 0.69 CA1 (0.56) CA1CA2SLC15A2AGTR2ITGB2

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-9086416-B2 Removable saccharide-benzimidazole (BIM) tags and conjugates thereof via 1H-position of the benzimidazoles ACADEMIA SINICA (TW) 2015-07-21 US disclosed
US-20130102049-A1 REMOVABLE SACCHARIDE-BENZIMIDAZOLE (BIM) TAGS AND CONJUGATES THEREOF VIA 1H-POSITION OF THE BENZIMIDAZOLES ACADEMIA SINICA (TW) 2013-04-25 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-20130102049-A1 REMOVABLE SACCHARIDE-BENZIMIDAZOLE (BIM) TAGS AND CONJUGATES THEREOF VIA 1H-POSITION OF THE BENZIMIDAZOLES SORD, BTD, DERA CA1 540/4885CA2 2193/4885SLC15A2 3167/4885

“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.