SCHEMBL21998702

SCHEMBL21998702

CCCC(C)(C)c1cccc(NS(=O)(=O)CC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.51
BRD4 O60885 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
KIF11 P52732 1/20 0.41
BRDT Q58F21 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 2/20 0.40
CCNA1 P78396 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL21652254 0.88 KIF11 (0.47) NR3C2BRD4KIF11MAPTHTT
SCHEMBL18649047 0.88 NR3C2 (0.54) NR3C2BRD4ADRA2AADRA1AKIF11
SCHEMBL21652308 0.84 HTT (0.49) BRD4KIF11MAPTHPGDHTT
SCHEMBL8274370 0.84 NR3C2 (0.57) NR3C2BRD4ADRA2AADRA1AKIF11
SCHEMBL20372223 0.77 ALDH1A1 (0.40) MAPTLMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL16658362 0.77 RORC (0.47) NR3C2BRD4MAPTSMN1; SMN2LRRK2
SCHEMBL22928009 0.76 LMNA (0.61) ADRA2AADRA1ALMNAHTTSMN1; SMN2
SCHEMBL20366361 0.76 RAB9A (0.54) MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL10294172 0.76 NR3C2 (0.50) NR3C2BRD4ADRA2AADRA1AKIF11
SCHEMBL18649037 0.75 KIF11 (0.49) NR3C2BRD4KIF11MAPTLMNA

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 NR3C2 1906/4885BRD4 5/4885ADRA2A 4642/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 NR3C2 1906/4885BRD4 5/4885ADRA2A 4642/4885

“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.