SCHEMBL21998333

SCHEMBL21998333

Cc1cc(-c2nc(N[S+](C)[O-])ncc2Oc2ccc(F)cc2F)cn(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.66
CREBBP Q92793 2/20 0.47
MAPK14 Q16539 2/20 0.44
MAPK8 P45983 2/20 0.42

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
SCHEMBL21994132 0.90 BRD4 (0.54) BRD4MAPK14MAPK8
SCHEMBL19930720 0.85 BRD4 (0.68) BRD4CREBBPMAPK14MAPK8
SCHEMBL16657966 0.85 BRD4 (0.72) BRD4CREBBPMAPK14MAPK8
SCHEMBL16651765 0.85 BRD4 (0.75) BRD4CREBBPMAPK14MAPK8
SCHEMBL21994197 0.84 BRD4 (0.66) BRD4CREBBP
SCHEMBL16657976 0.84 BRD4 (0.77) BRD4CREBBPMAPK14MAPK8
SCHEMBL16657958 0.83 BRD4 (0.52) BRD4MAPK14MAPK8
SCHEMBL16651455 0.83 BRD4 (0.73) BRD4CREBBP
SCHEMBL16657959 0.83 BRD4 (0.46) BRD4MAPK14MAPK8
SCHEMBL25043182 0.82 BRD4 (0.74) BRD4CREBBPMAPK14MAPK8

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-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 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-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885CREBBP 45/4885MAPK14 2056/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885CREBBP 45/4885MAPK14 2056/4885

“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.