SCHEMBL22099982

SCHEMBL22099982

CCCOc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3cccc(NC(=O)c4ccc(C#N)cc4)c3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 9/20 0.44
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CREBBP Q92793 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
SCHEMBL20764568 0.92 F3 (0.40) NR1H4RXFP1
SCHEMBL20764564 0.92 F3 (0.40) NR1H4RXFP1
SCHEMBL20764767 0.90 NR1H4 (0.41) NR1H4RXFP1
SCHEMBL20764766 0.90 NR1H4 (0.41) NR1H4RXFP1
SCHEMBL22100101 0.89 RXFP1 (0.39) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL22099918 0.89 NAMPT (0.37) PPARA
SCHEMBL22099914 0.89 RORC (0.38) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL22099929 0.88 P4HTM (0.36) MAPTTP53RXFP1NPC1
SCHEMBL22100106 0.88 MAPT (0.38) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL22100094 0.88 HDAC1 (0.37) MAPTTP53RXFP1MEN1KMT2A

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 NR1H4 1368/4885MAPT 3731/4885TP53 3744/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 NR1H4 1589/4885MAPT 3863/4885TP53 4050/4885

“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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