SCHEMBL22099984

SCHEMBL22099984

CC(C)Oc1c(N=[N+]=[N-])ccc(C(=O)Nc2ccc(C(O)OC(C)(C)C)cc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.37
▸ PLAU P00749 3/20 0.37
▸ KLK1 P06870 2/20 0.35
▸ KLK6 Q92876 2/20 0.35
▸ F2R P25116 1/20 0.34
▸ PNLIP P16233 1/20 0.34
▸ F10 P00742 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ NR1H4 Q96RI1 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GLA P06280 1/20 0.30

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
SCHEMBL20764545 0.84 STAT3 (0.39) PLGPLAUF2RPNLIPSLC6A3
SCHEMBL20764507 0.65 STAT3 (0.45) PLGPLAUKLK1KLK6PNLIP
SCHEMBL15290168 0.59 F2R (0.59) F2RPNLIPPOLB
SCHEMBL22099993 0.59 MAPT (0.37) PLGPLAUNR1H4POLBGLA
SCHEMBL15290169 0.59 NPC1 (0.60) F2RPNLIPPOLB
SCHEMBL16329191 0.58 CYP17A1 (0.46) —
SCHEMBL23097214 0.58 CA1 (0.43) POLB
SCHEMBL16883314 0.58 F2R (0.46) F2RPOLB
SCHEMBL21579491 0.57 TERT (0.64) PLGPLAUKLK1KLK6PNLIP
SCHEMBL15290179 0.57 NPC1 (0.59) F2R

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-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — 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 (2 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 PLG 2048/4885PLAU 1564/4885KLK1 1623/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 PLG 2688/4885PLAU 2260/4885KLK1 1592/4885

“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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