SCHEMBL21137817

SCHEMBL21137817

COC(=O)CCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)OC)cc3OC(C)C)c(O)c2OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EP300 Q09472 2/20 0.39
▸ AR P10275 1/20 0.39
▸ PELP1 Q8IZL8 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGLN1 Q9GZT9 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
SCHEMBL21138155 0.86 EP300 (0.48) MAPTALDH1A1MAPK1HTTMEN1
SCHEMBL17775442 0.85 ALDH1A1 (0.47) GAAMAPTALDH1A1MAPK1HTT
SCHEMBL16371049 0.84 MAPT (0.48) GAAMAPTALDH1A1MAPK1LMNA
SCHEMBL17779609 0.84 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL23190908 0.81 GAA (0.35) GAAMAPTALDH1A1HTTMEN1
SCHEMBL16392500 0.79 EP300 (0.52) GAAMAPTALDH1A1MAPK1HSD17B10
SCHEMBL24379797 0.77 EP300 (0.53) GAAMAPTALDH1A1HTTMEN1
SCHEMBL30625925 0.76 LMNA (0.47) GAAMAPTALDH1A1MAPK1HTT
SCHEMBL16392496 0.76 AR (0.58) GAAMAPTKMT2ALMNAKDM4E
SCHEMBL16392463 0.76 EP300 (0.57) GAAMEN1KMT2ALMNAEP300

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-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 — — US disclosed
US-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 — — US disclosed
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 — — 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 (4 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-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH GAA 2979/4885MAPT 1600/4885ALDH1A1 2778/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 GAA 4022/4885MAPT 3912/4885ALDH1A1 861/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 GAA 4012/4885MAPT 3765/4885ALDH1A1 1028/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 GAA 3927/4885MAPT 3953/4885ALDH1A1 737/4885

“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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