SCHEMBL22076736

SCHEMBL22076736

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cc2)ccc(C(=O)NC2CONC2=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ EHMT2 Q96KQ7 6/20 0.32
▸ EHMT1 Q9H9B1 2/20 0.31
▸ DNMT1 P26358 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL22076735 1.00 CHRM3 (0.34) CHRM3CHRM2DPP4EHMT2EHMT1
SCHEMBL22076733 1.00 CHRM3 (0.34) CHRM3CHRM2DPP4EHMT2EHMT1
SCHEMBL20787632 0.92 PLAU (0.35) CTSK
SCHEMBL22076715 0.86 CHRM3 (0.39) CHRM3CHRM2DPP4EHMT2
SCHEMBL22076707 0.86 CHRM3 (0.39) CHRM3CHRM2DPP4EHMT2
SCHEMBL20764547 0.85 MMP2 (0.37) CHRM3CHRM2DPP4
SCHEMBL20764544 0.85 MMP2 (0.37) CHRM3CHRM2DPP4
SCHEMBL20764474 0.84 MMP2 (0.37) CHRM3CHRM2DPP4
SCHEMBL20764587 0.84 MMP2 (0.35) CHRM3CHRM2DPP4
SCHEMBL20764471 0.84 MMP2 (0.37) CHRM3CHRM2DPP4

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 CHRM3 3381/4885CHRM2 2888/4885DPP4 1682/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CHRM3 4187/4885CHRM2 3775/4885DPP4 1957/4885

“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.

Send feedback