SCHEMBL21452323

SCHEMBL21452323

Cc1c(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HDAC6 Q9UBN7 4/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
NAMPT P43490 1/20 0.35
MAP3K5 Q99683 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL29709500 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ANPSR1LMNA
SCHEMBL1068162 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ANPSR1LMNA
SCHEMBL11987771 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ANPSR1LMNA
SCHEMBL29496802 0.77 PDCD1 (0.47) USP30
SCHEMBL20293099 0.77 PDCD1 (0.47) USP30
SCHEMBL21411165 0.76 BRD4 (0.47) BRD4CREBBPHDAC6KDM4EESR2
SCHEMBL22966614 0.75 BTK (0.41) BRD4CREBBPHDAC6MKNK1MAP3K5
SCHEMBL1174513 0.75 HDAC6 (0.72) BRD4CREBBPHDAC6KDM4EESR2
SCHEMBL21452342 0.74 HDAC6 (0.46) BRD4CREBBPHDAC6ALDH1A1KDM4E
SCHEMBL2118147 0.74 ESR2 (0.46) BRD4CREBBPKDM4EESR2NR1H2

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO 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 (1 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP BRD4 2330/4885CREBBP 1765/4885HDAC6 390/4885

“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.