SCHEMBL21249900

SCHEMBL21249900

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL22792161 0.80 CNR1 (0.40) THRBCA2
SCHEMBL7902885 0.79 PARP1 (0.44) PDE7APDE7BCA12CA1CA2
SCHEMBL13293326 0.79 MAOA (0.36) PDE7APDE7BCA12CA1CA2
SCHEMBL21249901 0.73 CCNC (0.34) ESR1THRATHRB
SCHEMBL25780901 0.70 ESR1 (0.41) ESR1THRATHRB
SCHEMBL13293305 0.69 ALOX15 (0.48) CA1CA2CA4
SCHEMBL8337671 0.68 CHEK1 (0.54) ESR1CA12CA1CA2CA4
SCHEMBL2879973 0.66 MEN1 (0.50) ESR1THRATHRB
SCHEMBL6685103 0.66 ESR1 (0.74) ESR1THRATHRB
SCHEMBL12776191 0.65 PARP1 (0.71)

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 ESR1 275/4885THRA 2326/4885THRB 1021/4885

“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.