SCHEMBL20764441

SCHEMBL20764441

C=CCOc1c(C(=O)O)ccc(NC(=O)c2ccc(NC(=O)C(N)CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC3 O15379 4/20 0.33
▸ NCOR2 Q9Y618 4/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ EP300 Q09472 2/20 0.33
▸ PRSS12 P56730 1/20 0.33
▸ LTA4H P09960 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL20764438 1.00 POLB (0.37) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL28376874 0.92 NPC1 (0.35) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL28376877 0.92 NPC1 (0.35) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22076699 0.86 POLB (0.34) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22076701 0.86 POLB (0.34) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22076741 0.84 CD40 (0.40) POLBNPC1MAPTRAB9AMEN1
SCHEMBL22076742 0.84 CD40 (0.40) POLBNPC1MAPTRAB9AMEN1
SCHEMBL22076728 0.81 CD40 (0.39) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22076727 0.81 CD40 (0.39) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL28372338 0.79 USP30 (0.33) POLBSMN1; SMN2NPC1MAPTRAB9A

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 5 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
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO 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 POLB 2408/4885SMN1; SMN2 4834/4885NPC1 3291/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 POLB 2839/4885SMN1; SMN2 4840/4885NPC1 3258/4885

“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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