SCHEMBL22076705

SCHEMBL22076705

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.45
▸ SLC1A3 P43003 5/20 0.42
▸ SLC1A2 P43004 5/20 0.42
▸ SLC1A1 P43005 5/20 0.42
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL28373495 0.84 CYP2C9 (0.35) LTA4HCYP2C9
SCHEMBL20764895 0.84 CYP2C9 (0.36) SLC1A3SLC1A2SLC1A1CYP2C9TAAR1
SCHEMBL22311657 0.83 SLC1A3 (0.48) LTA4HSLC1A3SLC1A2SLC1A1HDAC8
SCHEMBL17531810 0.83 SLC1A3 (0.48) LTA4HSLC1A3SLC1A2SLC1A1HDAC8
SCHEMBL30625935 0.80 SMN1; SMN2 (0.48) CYP2C9HDAC8
SCHEMBL20764514 0.76 MLYCD (0.42) —
SCHEMBL20764516 0.76 MLYCD (0.42) —
SCHEMBL25209459 0.75 SLC1A3 (0.53) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL21690461 0.75 SLC1A3 (0.53) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL17477557 0.75 SLC1A3 (0.53) LTA4HSLC1A3SLC1A2SLC1A1

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
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
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
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

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 LTA4H 589/4885SLC1A3 325/4885SLC1A2 449/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 LTA4H 754/4885SLC1A3 454/4885SLC1A2 656/4885

“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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