SCHEMBL21249901

SCHEMBL21249901

CC(C)(C)Cc1ccc2c(c1)CS(=O)(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ESR1 P03372 1/20 0.34
METAP2 P50579 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PTK2B Q14289 2/20 0.31
PTK2 Q05397 1/20 0.30

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
SCHEMBL7903543 0.82 PARP1 (0.36) CCNCCDK8METAP2
SCHEMBL20244063 0.77 ESR1 (0.33) ESR1THRATHRB
SCHEMBL18409211 0.77 ESR1 (0.33) ESR1THRATHRB
SCHEMBL20109740 0.76 CCNC (0.36) CCNCCDK8PTK2B
SCHEMBL4577378 0.74 MAPT (0.41) CCNCCDK8METAP2
SCHEMBL21249900 0.73 ESR1 (0.38) ESR1THRATHRB
SCHEMBL7904180 0.73 CA1 (0.42) CCNCCDK8
SCHEMBL19386409 0.70 AHR (0.51)
SCHEMBL21377067 0.69 TDP2 (0.36) CCNCCDK8METAP2
SCHEMBL15661473 0.69 CA2 (0.42) CCNCCDK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 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 (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-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 CCNC 997/4885CDK8 1138/4885ESR1 275/4885

“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.