SCHEMBL20128433

SCHEMBL20128433

CC1(C)CCC2(C(=O)n3cnc(C#N)c3)CCC3(C)C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.80
MBOAT4 Q96T53 4/20 0.78
CCR6 P51684 1/20 0.78
KEAP1 Q14145 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP2C9 P11712 1/20 0.73
NFE2L2 Q16236 2/20 0.70
USP7 Q93009 2/20 0.70
USP2 O75604 1/20 0.70
STAT3 P40763 1/20 0.70
RORC P51449 1/20 0.60

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
SCHEMBL20136646 0.95 NOS2 (0.77) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994632 0.93 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994634 0.93 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20128685 0.91 NOS2 (0.78) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20128432 0.91 NOS2 (0.77) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553178 0.89 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755157 0.89 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL19380279 0.88 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553174 0.88 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337036 0.88 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135763-A1 PYRIDYL ANALOGS OF 1-(2-CYANO-3,12-DIOXOOLEANA-1,9(11)DIEN-28-OYL) IMIDAZOLE TRUSTEES OF DARTMOUTH COLLEGE 2019-05-09 US disclosed
US-10189791-B2 Pyridyl analogs of 1-(2-cyano-3,12-dioxooleana-1,9(11)dien-28-oyl) imidazole TRUSTEES OF DARTMOUTH COLLEGE (US) 2019-01-29 US disclosed
US-20180127379-A1 PYRIDYL ANALOGS OF 1-(2-CYANO-3,12-DIOXOOLEANA-1,9(11)DIEN-28-OYL) IMIDAZOLE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-05-10 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 (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-20180127379-A1 PYRIDYL ANALOGS OF 1-(2-CYANO-3,12-DIOXOOLEANA-1,9(11)DIEN-28-OYL) IMIDAZOLE DAD1, OAT, OTC NOS2 189/4885MBOAT4 2973/4885CCR6 2947/4885
US-10189791-B2 Pyridyl analogs of 1-(2-cyano-3,12-dioxooleana-1,9(11)dien-28-oyl) imidazole DAD1, OAT, OTC NOS2 189/4885MBOAT4 2973/4885CCR6 2947/4885
US-20190135763-A1 PYRIDYL ANALOGS OF 1-(2-CYANO-3,12-DIOXOOLEANA-1,9(11)DIEN-28-OYL) IMIDAZOLE DAD1, OAT, OTC NOS2 189/4885MBOAT4 2973/4885CCR6 2947/4885

“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.