SCHEMBL26755576

SCHEMBL26755576

CC1(C)CC[C@]2(C(=O)n3cnc(-c4ncccc4C(N)=O)c3)CCC3[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@]43C)C2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 8/20 0.62
▸ MBOAT4 Q96T53 4/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ KEAP1 Q14145 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFE2L2 Q16236 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ USP7 Q93009 1/20 0.43
▸ RORC P51449 2/20 0.37

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
SCHEMBL24337086 0.90 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL24389445 0.89 NOS2 (0.77) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL30641495 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337087 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24389441 0.88 NOS2 (0.78) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20257449 0.81 NOS2 (0.74) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24389446 0.81 NOS2 (0.74) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337270 0.81 NOS2 (0.54) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337151 0.79 NOS2 (0.82) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337047 0.78 NOS2 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365621-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM TRITERPENOID THERAPEUTICS INC (US) 2023-11-16 — — 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-20230365621-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM CDYL2, CYP11B2, HSD17B13 NOS2 1980/4885MBOAT4 3144/4885CCR6 4292/4885

“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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