SCHEMBL20764766

SCHEMBL20764766

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cc2)ccc(C(=O)Nc2cccc(C(=O)O)c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 9/20 0.41
▸ PPARG P37231 3/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ F3 P13726 5/20 0.39
▸ HPSE Q9Y251 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL20764767 1.00 NR1H4 (0.41) NR1H4PPARGPPARDGPBAR1F3
SCHEMBL20764564 0.98 F3 (0.40) NR1H4F3RXFP1
SCHEMBL20764568 0.98 F3 (0.40) NR1H4F3RXFP1
SCHEMBL20764587 0.93 MMP2 (0.35) RXFP1
SCHEMBL20764589 0.93 MMP2 (0.35) RXFP1
SCHEMBL20764471 0.92 MMP2 (0.37) F3RXFP1
SCHEMBL20764474 0.92 MMP2 (0.37) F3RXFP1
SCHEMBL22076702 0.91 MMP2 (0.34) RXFP1
SCHEMBL20787921 0.91 MMP2 (0.34) RXFP1
SCHEMBL20764544 0.91 MMP2 (0.37) RXFP1

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 6 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-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
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 NR1H4 1368/4885PPARG 1717/4885PPARD 569/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 NR1H4 1589/4885PPARG 2180/4885PPARD 660/4885

“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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