SCHEMBL17779609

SCHEMBL17779609

COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)c(OC(C)C)c2O)c(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ EP300 Q09472 3/20 0.39
▸ AR P10275 1/20 0.39
▸ PELP1 Q8IZL8 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17775442 0.85 ALDH1A1 (0.47) MAPTALDH1A1MAPK1SMN1; SMN2EP300
SCHEMBL16371049 0.84 MAPT (0.48) MAPTALDH1A1MAPK1EP300AR
SCHEMBL21137817 0.84 GAA (0.42) MAPTALDH1A1MAPK1SMN1; SMN2EP300
SCHEMBL11959264 0.81 KDM4E (0.42) MAPTALDH1A1MAPK1EP300AR
SCHEMBL16392500 0.79 EP300 (0.52) MAPTALDH1A1MAPK1EP300AR
SCHEMBL21138155 0.77 EP300 (0.48) MAPTALDH1A1MAPK1SMN1; SMN2EP300
SCHEMBL24379797 0.77 EP300 (0.53) MAPTALDH1A1SMN1; SMN2EP300HDAC1
SCHEMBL28525705 0.76 NAMPT (0.38) NAMPTSMN1; SMN2TP53HDAC1NPC1
SCHEMBL16392496 0.76 AR (0.58) MAPTEP300ARPELP1HIF1A
SCHEMBL16392463 0.76 EP300 (0.57) EP300HDAC1HIF1ARAB9AMEN1

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-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
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 MAPT 3395/4885ALDH1A1 2000/4885MAPK1 4212/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MAPT 1600/4885ALDH1A1 2778/4885MAPK1 4415/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MAPT 3912/4885ALDH1A1 861/4885MAPK1 4415/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MAPT 3765/4885ALDH1A1 1028/4885MAPK1 4386/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 MAPT 3953/4885ALDH1A1 737/4885MAPK1 4357/4885

“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