SCHEMBL21786470

SCHEMBL21786470

CC(C)COc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1cc(C(C)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
IKBKB O14920 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
XDH P47989 2/20 0.31
CYP3A4 P08684 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SLC6A9 P48067 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL21786483 0.87 ESR1 (0.34) SCN8ASCN10AIKBKBAKR1C3AKR1C2
SCHEMBL21786538 0.83 IKBKB (0.34) SCN8ASCN10AIKBKB
SCHEMBL23913055 0.83 IKBKB (0.32) SCN8ASCN10AIKBKBAKR1C3AKR1C2
SCHEMBL21786471 0.82 PTGDR2 (0.39) IKBKB
SCHEMBL21786541 0.81 PTGDR2 (0.36) IKBKB
SCHEMBL21786481 0.79 PTPN1 (0.40)
SCHEMBL21786472 0.79 MAPT (0.41)
SCHEMBL21786477 0.78 PTPN1 (0.39) IKBKB
SCHEMBL21786610 0.77 MAPT (0.38)
SCHEMBL22791108 0.77 CYP11B1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SCN8A 4309/4885SCN10A 4642/4885IKBKB 433/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SCN8A 4309/4885SCN10A 4642/4885IKBKB 433/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SCN8A 4309/4885SCN10A 4642/4885IKBKB 433/4885

“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.