SCHEMBL22099993

SCHEMBL22099993

CC(C)Oc1c(N)ccc(C(=O)NC(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALOX5AP P20292 2/20 0.33

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
SCHEMBL20787388 0.85 ALDH1A1 (0.39) MAPTKDM4EPLGPLAUALDH1A1
SCHEMBL16369793 0.80 IRAK4 (0.47) PLGPLAUALDH1A1GLA
SCHEMBL19583352 0.80 ALDH1A1 (0.49) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL20764507 0.78 STAT3 (0.45) MAPTMEN1KMT2AKDM4EPLG
SCHEMBL16369610 0.72 EP300 (0.63) EP300
SCHEMBL16392500 0.71 EP300 (0.52) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL12310842 0.70 MMP2 (0.56) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL19608101 0.70 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL19537456 0.70 IRAK4 (0.58) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13958740 0.69 POLB (0.42) MAPTMEN1KMT2AKDM4EPOLB

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 MAPT 3731/4885MEN1 2023/4885KMT2A 2115/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MAPT 3863/4885MEN1 2097/4885KMT2A 2307/4885

“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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