SCHEMBL20787936

SCHEMBL20787936

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc(S(C)(=O)=O)cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.40
▸ CA1 P00915 4/20 0.40
▸ USP30 Q70CQ3 4/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TOP2B Q02880 1/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ AVPR2 P30518 1/20 0.34
▸ GPR27 Q9NS67 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34

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
SCHEMBL22076704 1.00 CA2 (0.40) CA2CA1USP30MMP2LMNA
SCHEMBL20764481 0.91 MEN1 (0.44) MMP2LMNAMEN1KMT2ARXFP1
SCHEMBL22076698 0.91 MMP2 (0.38) CA2CA1MMP2MEN1KMT2A
SCHEMBL22076696 0.91 MMP2 (0.38) CA2CA1MMP2MEN1KMT2A
SCHEMBL20764482 0.91 MEN1 (0.44) MMP2LMNAMEN1KMT2ARXFP1
SCHEMBL20764600 0.90 CACNA1B (0.37) CA2MMP2MEN1KMT2ARXFP1
SCHEMBL20764473 0.90 MEN1 (0.37) CA2CA1MMP2LMNAMEN1
SCHEMBL20764599 0.90 CACNA1B (0.37) CA2MMP2MEN1KMT2ARXFP1
SCHEMBL20764477 0.90 MEN1 (0.37) CA2CA1MMP2LMNAMEN1
SCHEMBL20764715 0.90 EP300 (0.40) CA2CA1MMP2MEN1KMT2A

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
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
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 CA2 644/4885CA1 1863/4885USP30 2475/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CA2 740/4885CA1 1963/4885USP30 2438/4885

“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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