SCHEMBL18348160

SCHEMBL18348160

CC1(C)OC(c2ccc(F)c(C#N)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.44
▸ AR P10275 1/20 0.40
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ PLA2G7 Q13093 6/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.33
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ PTP4A3 O75365 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 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
SCHEMBL27187843 0.78 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL3712044 0.77 CYP11B1 (0.51) PGRARABCC9ABCC8KCNJ11
SCHEMBL2084565 0.74 CYP11B1 (0.36) PGRARABCC9ABCC8KCNJ11
SCHEMBL28514719 0.73 TRPV4 (0.36) PGRARTRPV4CYP11B1CYP11B2
SCHEMBL30224771 0.72 PGR (0.36) PGRARABCC9ABCC8KCNJ11
SCHEMBL14724654 0.71 ERN1 (0.33) —
SCHEMBL17584670 0.71 PGR (0.33) PGR
SCHEMBL31734535 0.70 PTP4A3 (0.38) PGRARABCC9ABCC8KCNJ11
SCHEMBL25004524 0.70 SLC6A4 (0.38) PGRARABCC9ABCC8KCNJ11
SCHEMBL9888365 0.70 AR (0.39) PGRARABCC9ABCC8KCNJ11

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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 — — US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 — — US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 — — US disclosed
WO-2017003995-A1 TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-01-05 — — WO disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 — — 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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 PGR 4019/4885AR 3470/4885ABCC9 1566/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 PGR 4019/4885AR 3470/4885ABCC9 1566/4885

“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.

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