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Sugi Predict / Compounds / SCHEMBL23380995

SCHEMBL23380995

SCHEMBL23380995

COc1cc2cc(c1)CN1Cc3cc(cc(OC)c3)CN3Cc4cc(cc(OC)c4)CN(C2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CSCCC3=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN(C)C(=O)CCN)CSCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.58
▸ EPHA2 P29317 7/20 0.57
▸ ACE P12821 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53
▸ TSLP Q969D9 9/20 0.52
▸ NECTIN4 Q96NY8 2/20 0.52

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
SCHEMBL23381359 0.94 KLKB1 (0.57) KLKB1EPHA2ACEACE2NECTIN4
SCHEMBL23381228 0.93 EPHA2 (0.58) KLKB1EPHA2ACEACE2TSLP
SCHEMBL23380904 0.92 KLKB1 (0.67) KLKB1EPHA2ACEACE2TSLP
SCHEMBL23380874 0.92 KLKB1 (0.59) KLKB1EPHA2ACEACE2TSLP
SCHEMBL22753492 0.90 KLKB1 (0.59) KLKB1EPHA2ACEACE2TSLP
SCHEMBL23381240 0.89 KLKB1 (0.58) KLKB1EPHA2ACEACE2
SCHEMBL23381038 0.89 KLKB1 (0.70) KLKB1EPHA2ACEACE2
SCHEMBL23381034 0.88 KLKB1 (0.69) KLKB1EPHA2ACEACE2TSLP
SCHEMBL22753507 0.88 KLKB1 (0.58) KLKB1EPHA2ACEACE2
SCHEMBL23381267 0.88 KLKB1 (0.68) KLKB1EPHA2ACEACE2TSLP

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-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 — — 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-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KLKB1 322/4885EPHA2 364/4885ACE 1059/4885

“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.