SCHEMBL16298642

SCHEMBL16298642

CSCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(=O)NCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.47
▸ NPR1 P16066 1/20 0.45
▸ NPR3 P17342 1/20 0.45
▸ CTSG P08311 2/20 0.43
▸ F11 P03951 2/20 0.42
▸ TSLP Q969D9 2/20 0.42
▸ BECN1 Q14457 3/20 0.42
▸ TNFSF11 O14788 1/20 0.41
▸ BCL2L1 Q07817 2/20 0.41
▸ BAD Q92934 2/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ PLAU P00749 2/20 0.41
▸ KLK7 P49862 2/20 0.40

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
SCHEMBL14029125 0.87 CTSG (0.50) ALBNPR1NPR3CTSGF11
SCHEMBL9909406 0.84 ALB (0.47) ALBNPR1NPR3CTSGF11
SCHEMBL7010763 0.83 TSLP (0.43) ALBNPR1NPR3CTSGF11
SCHEMBL16325464 0.83 ALB (0.46) ALBNPR1NPR3CTSGTSLP
SCHEMBL13590621 0.83 ALB (0.48) ALBNPR1NPR3CTSGF11
SCHEMBL13487337 0.83 NPR1 (0.47) ALBNPR1NPR3CTSGF11
SCHEMBL10327614 0.81 NPR1 (0.48) ALBNPR1NPR3CTSGF11
SCHEMBL16418037 0.81 NPR1 (0.48) ALBNPR1NPR3CTSGF11
SCHEMBL13267689 0.81 NPR1 (0.48) ALBNPR1NPR3CTSGF11
SCHEMBL13486079 0.80 NPR1 (0.51) ALBNPR1NPR3CTSGF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — 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-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG ALB 4118/4885NPR1 377/4885NPR3 484/4885

“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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