SCHEMBL22076680

SCHEMBL22076680

C=CCOc1c(C(=O)Nc2ccc(C(=O)O)cc2)ccc(NC(=O)c2ccc(NC(=O)[C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MYC P01106 3/20 0.36
▸ MAX P61244 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MITF O75030 1/20 0.34

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
SCHEMBL22076681 1.00 MAPT (0.42) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076727 0.94 CD40 (0.39) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076728 0.94 CD40 (0.39) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076742 0.91 CD40 (0.40) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076741 0.91 CD40 (0.40) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076691 0.82 MAPT (0.42) MAPTCD40CD40LGEP300HIF1A
SCHEMBL22076690 0.82 MAPT (0.42) MAPTCD40CD40LGEP300HIF1A
SCHEMBL20764531 0.80 EP300 (0.49) MAPTCD40CD40LGEP300HIF1A
SCHEMBL20764436 0.80 MEN1 (0.47) MAPTCD40CD40LGNPC1RAB9A
SCHEMBL20764435 0.80 MEN1 (0.47) MAPTCD40CD40LGNPC1RAB9A

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 MAPT 3731/4885CD40 4306/4885CD40LG 4625/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MAPT 3863/4885CD40 4454/4885CD40LG 4691/4885

“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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