SCHEMBL18102693

SCHEMBL18102693

COc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.51
▸ HDAC8 Q9BY41 2/20 0.50
▸ CTSL P07711 3/20 0.47
▸ SIRT2 Q8IXJ6 6/20 0.43
▸ SIRT1 Q96EB6 5/20 0.43
▸ SIRT3 Q9NTG7 3/20 0.43
▸ SIRT5 Q9NXA8 3/20 0.43
▸ F2 P00734 2/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 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
SCHEMBL15702069 0.94 SSTR3 (0.51) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL16847583 0.93 HDAC8 (0.55) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL15702064 0.93 SSTR3 (0.52) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL25361958 0.91 SSTR3 (0.50) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL25361946 0.91 SSTR3 (0.50) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL22698598 0.90 HDAC8 (0.51) HDAC8SIRT2SIRT1SIRT3SIRT5
SCHEMBL29649478 0.88 SSTR3 (0.44) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL10198897 0.87 SSTR3 (0.44) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL15702071 0.87 SSTR3 (0.45) SSTR3HDAC8CTSLSIRT2SIRT1
SCHEMBL16847584 0.87 HDAC8 (0.57) HDAC8SIRT2SIRT1SIRT3SIRT5

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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 — — 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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR SSTR3 217/4885HDAC8 2826/4885CTSL 311/4885

“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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