SCHEMBL29420577

SCHEMBL29420577

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.50
▸ ELANE P08246 4/20 0.49
▸ NNMT P40261 2/20 0.46
▸ PLAU P00749 1/20 0.46
▸ CACNA1B Q00975 1/20 0.44
▸ ITGB3 P05106 2/20 0.42
▸ ITGB1 P05556 2/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ ITGA5 P08648 2/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ MC4R P32245 6/20 0.41
▸ MC5R P33032 6/20 0.41
▸ MC3R P41968 6/20 0.41
▸ MC1R Q01726 6/20 0.41
▸ CTSG P08311 1/20 0.41
▸ ERBB2 P04626 1/20 0.41

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
SCHEMBL29388360 0.93 ELANE (0.53) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL29388680 0.88 PLAU (0.59) ELANENNMTPLAUCACNA1BITGB3
SCHEMBL29387473 0.85 ITGB3 (0.59) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL12518412 0.75 ITGB3 (0.44) KLKB1NNMTITGB3ITGAVITGB5
SCHEMBL15082201 0.74 CACNA1B (0.56) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL12292867 0.73 NNMT (0.49) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL7743802 0.73 ITGB3 (0.56) KLKB1NNMTPLAUCACNA1BITGB3
SCHEMBL13725054 0.73 NNMT (0.50) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL13724150 0.73 NNMT (0.50) KLKB1ELANENNMTPLAUCACNA1B
SCHEMBL29726666 0.72 ITGB3 (0.54) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133350-A1 COMPOSITIONS AND USES OF NON-CYCLIC PEPTIDES ACTIVEN SA (CH) 2025-06-26 — — WO disclosed
CN-117224709-A Compositions and methods for inhibiting biofilm deposition and production 宾夕法尼亚州立大学托管会 2023-12-15 — — CN disclosed
US-20230241186-A1 COMPOSITIONS AND METHODS FOR INHIBITING BIOFILM DEPOSITION AND PRODUCTION UNIV PENNSYLVANIA (US) 2023-08-03 — — US disclosed
CN-109789191-B Compositions and methods for inhibiting biofilm deposition and production 宾夕法尼亚州立大学托管会 2023-08-01 — — CN disclosed
US-20220362381-A1 REMOTELY TRIGGERED THERAPY BAMBU VAULT LLC (US) 2022-11-17 — — US disclosed
US-20220249627-A1 COMPOSITIONS AND METHODS FOR INHIBITING BIOLFILM DEPOSITION AND PRODUCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-08-11 — — US disclosed
US-11246819-B2 Compositions and methods for inhibiting biofilm deposition and production THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-02-15 — — 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 (4 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-11246819-B2 Compositions and methods for inhibiting biofilm deposition and production ADAM33, FGB, ADAM17 KLKB1 913/4885ELANE 144/4885NNMT 1676/4885
US-20220362381-A1 REMOTELY TRIGGERED THERAPY CD47, HSP90AA1, HSF1 KLKB1 401/4885ELANE 1192/4885NNMT 3608/4885
US-20230241186-A1 COMPOSITIONS AND METHODS FOR INHIBITING BIOFILM DEPOSITION AND PRODUCTION MMP1, MMP8, TIMP3 KLKB1 1841/4885ELANE 47/4885NNMT 534/4885
US-20220249627-A1 COMPOSITIONS AND METHODS FOR INHIBITING BIOLFILM DEPOSITION AND PRODUCTION ADAM33, CTRL, TIMP3 KLKB1 671/4885ELANE 58/4885NNMT 1306/4885

“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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