SCHEMBL13827646

SCHEMBL13827646

CC(C)C(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 11/20 0.65
▸ C5AR1 P21730 1/20 0.64
▸ GLP1R P43220 8/20 0.59
▸ GCGR P47871 1/20 0.58

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
SCHEMBL29461975 0.91 C5AR1 (0.62) IL23RC5AR1
SCHEMBL29461969 0.90 C5AR1 (0.61) IL23RC5AR1GLP1R
SCHEMBL29700350 0.88 IL23R (0.66) IL23RGLP1R
SCHEMBL31689355 0.88 NPBWR1 (0.65) IL23RC5AR1GLP1R
SCHEMBL30518100 0.87 C5AR1 (0.63) IL23RC5AR1GLP1R
SCHEMBL38654759 0.87 C5AR1 (0.62) IL23RC5AR1GLP1RGCGR
SCHEMBL31680266 0.87 GHSR (0.60) IL23RC5AR1
SCHEMBL30451312 0.87 C5AR1 (0.70) IL23RC5AR1GLP1RGCGR
SCHEMBL30592733 0.86 GLP1R (0.55) IL23RC5AR1GLP1RGCGR
SCHEMBL31366714 0.86 GLP1R (0.62) IL23RC5AR1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 — — US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 — — US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 — — 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH IL23R 1765/4885C5AR1 3674/4885GLP1R 404/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH IL23R 1765/4885C5AR1 3674/4885GLP1R 404/4885

“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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