SCHEMBL18180519

SCHEMBL18180519

C[C@H](NC(=O)[C@H](CSSC(C)(C)C)NC(=O)[C@H](CN)N1C(=O)C=CC1=O)C(=O)N[C@@H](CSSC(C)(C)C)C(=O)NCCOCCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.33
▸ TACR2 P21452 1/20 0.31
▸ AKT1 P31749 1/20 0.30
▸ PSMB10 P40306 1/20 0.30
▸ PSMB2 P49721 1/20 0.30

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
SCHEMBL22241568 0.86 AKT1 (0.31) AKT1
SCHEMBL22841483 0.86 AKT1 (0.31) AKT1
SCHEMBL22841401 0.81 — —
SCHEMBL22241569 0.80 — —
SCHEMBL16665959 0.77 — —
SCHEMBL16665955 0.77 — —
SCHEMBL22842218 0.77 — —
SCHEMBL22241565 0.75 — —
Trifluoroacetic Acid SCHEMBL31064901 0.73 CA2 (0.34) TLR2TACR2AKT1
SCHEMBL16665817 0.72 SIRT6 (0.40) TLR2

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-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS SEATTLE GENETICS, INC. (US) 2016-10-27 — — 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-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS EGFR, HDGF, CD47 TLR2 406/4885TACR2 1343/4885AKT1 4242/4885

“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