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SCHEMBL14028877

SCHEMBL14028877

CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)CNCc3ccccc3)C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BECN1 Q14457 3/20 0.44
▸ TERF2IP Q9NYB0 7/20 0.44
▸ MLLT3 P42568 1/20 0.42
▸ KRAS P01116 4/20 0.42
▸ PIN1 Q13526 2/20 0.42
▸ TERF2 Q15554 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 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
SCHEMBL14028885 0.95 TERF2IP (0.45) BECN1TERF2IPMLLT3KRASTERF2
SCHEMBL14028880 0.94 TERF2IP (0.46) BECN1TERF2IPMLLT3KRASTERF2
SCHEMBL16480284 0.93 TERF2IP (0.49) BECN1TERF2IPMLLT3NPY1RNPY2R
SCHEMBL16480282 0.88 TERF2IP (0.50) BECN1TERF2IPMLLT3NPY1RNPY2R
SCHEMBL16480283 0.80 SIRT2 (0.45) TERF2IPNPY1RNPY2RNPY4RNPY5R
SCHEMBL10138947 0.77 NPY1R (0.39) BECN1TERF2IPMLLT3KRASNPY1R
SCHEMBL10138953 0.76 NPY1R (0.41) BECN1TERF2IPMLLT3TERF2NPY1R
SCHEMBL10138943 0.70 SIRT2 (0.42) NPY1RNPY2RNPY4RNPY5R
SCHEMBL19473798 0.69 MC4R (0.47) PIN1
SCHEMBL19473905 0.68 TSLP (0.43) KRASPIN1

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-20080242598-A1 Alpha Helical Mimics, Their Uses and Methods For Their Production THE UNIVERSITY OF QUEENSLAND (AU) 2008-10-02 — — 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-20080242598-A1 Alpha Helical Mimics, Their Uses and Methods For Their Production PTMA, VIP, SCTR BECN1 1696/4885TERF2IP 2863/4885MLLT3 2263/4885

“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.