SCHEMBL10029500

SCHEMBL10029500

C[C@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(N)=O)C(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 11/20 0.46
▸ IL23R Q5VWK5 6/20 0.44
▸ BECN1 Q14457 1/20 0.43
▸ LDHB P07195 1/20 0.43
▸ F11 P03951 1/20 0.42

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
SCHEMBL10063736 0.92 IL23R (0.45) F12IL23RBECN1
Go-203-2C SCHEMBL29422915 0.89 F12 (0.48) F12IL23RBECN1F11
SCHEMBL16201919 0.88 F12 (0.47) F12IL23RBECN1
SCHEMBL18767061 0.70 CSNK2A2 (0.48) F12BECN1F11
SCHEMBL10943724 0.68 HDAC3 (0.41) —
SCHEMBL10942520 0.67 KDM1A (0.39) IL23RBECN1
SCHEMBL24155857 0.66 VDR (0.45) F12LDHB
SCHEMBL25589974 0.66 LDHB (0.45) F12IL23RLDHBF11
SCHEMBL26548489 0.66 LDHB (0.48) F12IL23RLDHBF11
SCHEMBL16508115 0.65 NPY4R (0.49) —

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-20120045502-A1 ANTAGONISTS OF MUC1 GENUS ONCOLOGY, LLC. 2012-02-23 — — 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-20120045502-A1 ANTAGONISTS OF MUC1 MUC1, VIP, BID F12 889/4885IL23R 972/4885BECN1 3449/4885

“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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