SCHEMBL13827829

SCHEMBL13827829

CCC(C)C1NC(=O)C(Cc2ccc(O)c(NNC(=O)Nc3ccc(OCC(C)=O)cc3)c2)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 12/20 0.51
▸ AVPR1A P37288 3/20 0.47
▸ AVPR1B P47901 3/20 0.47
▸ AVPR2 P30518 2/20 0.47
▸ SSTR4 P31391 6/20 0.41
▸ SSTR2 P30874 5/20 0.41
▸ SSTR3 P32745 5/20 0.41
▸ SSTR5 P35346 5/20 0.41
▸ SSTR1 P30872 2/20 0.41

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
SCHEMBL15849874 0.82 OXTR (0.47) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15510980 0.80 OXTR (0.70) OXTRAVPR1AAVPR1BAVPR2SSTR4
SCHEMBL13827825 0.80 OXTR (0.70) OXTRAVPR1AAVPR1BAVPR2SSTR4
SCHEMBL13828029 0.75 OXTR (0.47) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL13827822 0.74 OXTR (0.51) OXTRAVPR1AAVPR1BAVPR2SSTR4
SCHEMBL13827445 0.74 OXTR (0.47) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL14008026 0.70 OXTR (0.73) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL22333508 0.69 OXTR (0.77) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL22333523 0.69 OXTR (0.68) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL22333528 0.69 OXTR (0.68) OXTRAVPR1AAVPR1BAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH OXTR 2299/4885AVPR1A 2267/4885AVPR1B 1709/4885

“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.

Send feedback