SCHEMBL20764895

SCHEMBL20764895

C#Cc1ccc(NC(=O)C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ PSMB8 P28062 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL20764514 0.84 MLYCD (0.42) RAB9ANPC1
SCHEMBL20764516 0.84 MLYCD (0.42) RAB9ANPC1
SCHEMBL22076705 0.84 LTA4H (0.45) CYP2C9SLC1A3SLC1A2SLC1A1TAAR1
SCHEMBL28373495 0.81 CYP2C9 (0.35) CYP2C9SMN1; SMN2RAB9ANPC1
SCHEMBL30625935 0.78 SMN1; SMN2 (0.48) CYP2C9SMN1; SMN2HTTRAB9ANPC1
SCHEMBL28776911 0.74 MAPT (0.35) PSMB8PSMB5SLC1A3SLC1A2SLC1A1
SCHEMBL22070158 0.73 TAAR1 (0.46) SMN1; SMN2HTTRAB9ASLC1A3SLC1A2
SCHEMBL22076710 0.73 CYP2C9 (0.32) CYP2C9
SCHEMBL31045317 0.72 HDAC8 (0.52) —
SCHEMBL17870500 0.70 PSMB8 (0.37) PSMB8SMN1; SMN2HTTPSMB5ALDH1A1

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 4 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
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 CYP2C9 438/4885MAOB 555/4885PSMB8 2909/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CYP2C9 463/4885MAOB 847/4885PSMB8 2974/4885

“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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