SCHEMBL17775433

SCHEMBL17775433

COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2OCc2ccccc2)c(OC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 5/20 0.54
▸ MAX P61244 4/20 0.54
▸ AR P10275 1/20 0.53
▸ PELP1 Q8IZL8 1/20 0.53
▸ EP300 Q09472 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL16369635 0.93 MYC (0.62) MYCMAXARPELP1EP300
SCHEMBL16392533 0.86 AR (0.54) MYCMAXARPELP1EP300
SCHEMBL17775434 0.86 EP300 (0.49) MYCMAXEP300LMNAHPGD
SCHEMBL16392496 0.85 AR (0.58) MYCMAXARPELP1EP300
SCHEMBL17775441 0.83 MEN1 (0.47) MYCMAXMEN1KMT2AMAPT
SCHEMBL17795677 0.82 EP300 (0.53) MYCMAXARPELP1EP300
SCHEMBL28511094 0.80 MYC (0.51) MYCMAXEP300HIF1AMEN1
SCHEMBL20764575 0.80 MEN1 (0.49) MYCMAXMEN1KMT2AMAPT
SCHEMBL30625926 0.80 MEN1 (0.49) MYCMAXMEN1KMT2AMAPT
SCHEMBL16392556 0.79 EP300 (0.52) MYCMAXARPELP1EP300

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-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 — — EP 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
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — 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 (5 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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS MYC 2363/4885MAX 3953/4885AR 2913/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MYC 3391/4885MAX 4641/4885AR 82/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MYC 3303/4885MAX 4549/4885AR 18/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MYC 3082/4885MAX 4540/4885AR 35/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 MYC 3574/4885MAX 4624/4885AR 21/4885

“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