SCHEMBL22076692

SCHEMBL22076692

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(/N=N/c4ccccc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL22076693 1.00 PLG (0.40) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL22076694 1.00 PLG (0.40) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764481 0.94 MEN1 (0.44) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764482 0.94 MEN1 (0.44) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL22076698 0.91 MMP2 (0.38) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL22076696 0.91 MMP2 (0.38) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764725 0.91 KMT2A (0.52) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764477 0.90 MEN1 (0.37) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764600 0.90 CACNA1B (0.37) PLGPLAUMEN1KMT2ARXFP1
SCHEMBL20764473 0.90 MEN1 (0.37) PLGPLAUMEN1KMT2ARXFP1

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 1564/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 PLG 2688/4885PLAU 2260/4885MEN1 2097/4885

“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.

Send feedback