SCHEMBL22668658

SCHEMBL22668658

CCC(C)(C)C(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.41
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ SIRT2 Q8IXJ6 7/20 0.34
▸ SIRT1 Q96EB6 6/20 0.34
▸ SIRT3 Q9NTG7 3/20 0.33
▸ FURIN P09958 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL20467807 0.94 FAP (0.41) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL18909058 0.94 FAP (0.41) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL19708234 0.94 FAP (0.41) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL29307621 0.94 FAP (0.43) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23353477 0.93 FAP (0.40) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL25093971 0.91 FAP (0.42) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL23347003 0.91 FAP (0.42) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL23194271 0.91 FAP (0.42) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL25094809 0.91 FAP (0.42) FAPMAP1LC3BOPRK1SIRT2SIRT1
SCHEMBL23347004 0.91 FAP (0.42) FAPMAP1LC3BOPRK1SIRT2SIRT1

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-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF NOVARTIS AG (CH) 2020-11-19 — — 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-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF CD2, CD2BP2, CD22 FAP 550/4885MAP1LC3B 3654/4885OPRK1 3273/4885

“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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