SCHEMBL17253346

SCHEMBL17253346

NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSCC(CCCCC(=O)O)SC[C@@H](C(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 3/20 0.54
▸ GRB7 Q14451 1/20 0.47
▸ OXTR P30559 3/20 0.47
▸ AVPR2 P30518 1/20 0.47
▸ AVPR1A P37288 1/20 0.47
▸ SSTR4 P31391 9/20 0.45
▸ SSTR2 P30874 8/20 0.45
▸ SSTR3 P32745 8/20 0.45
▸ SSTR5 P35346 8/20 0.45
▸ SSTR1 P30872 4/20 0.45
▸ WDR5 P61964 2/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL17253461 0.97 AVPR1B (0.52) AVPR1BGRB7OXTRAVPR2AVPR1A
SCHEMBL15511844 0.84 AVPR1B (0.68) AVPR1BGRB7OXTRAVPR2AVPR1A
SCHEMBL15510980 0.74 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL14060519 0.74 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL324626 0.74 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL13827825 0.74 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL23114867 0.70 OXTR (0.62) AVPR1BOXTRAVPR2AVPR1A
SCHEMBL29666839 0.68 SSTR4 (0.51) AVPR1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL19560692 0.68 OXTR (0.77) AVPR1BGRB7OXTRAVPR2AVPR1A
SCHEMBL22333523 0.64 OXTR (0.68) AVPR1BOXTRAVPR2AVPR1A

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-20170145058-A1 METHOD FOR TARGETED CONJUGATION OF PEPTIDES AND PROTEINS BY PAIRED C2 BRIDGING OF CYSTEINE AMINO ACIDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-25 — — US disclosed
WO-2015169784-A1 METHOD FOR TARGETED CONJUGATION OF PEPTIDES AND PROTEINS BY PAIRED C2 BRIDGING OF CYSTEINE AMINO ACIDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-11-12 — — WO 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-20170145058-A1 METHOD FOR TARGETED CONJUGATION OF PEPTIDES AND PROTEINS BY PAIRED C2 BRIDGING OF CYSTEINE AMINO ACIDS CSTB, BCAT1, PTMS AVPR1B 2068/4885GRB7 1631/4885OXTR 2205/4885

“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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