Sugi Predict

Sugi Predict / Compounds / SCHEMBL144428

SCHEMBL144428

SCHEMBL144428

CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 1.00
▸ MBOAT4 Q96T53 4/20 1.00
▸ CCR6 P51684 1/20 1.00
▸ KEAP1 Q14145 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ NFE2L2 Q16236 2/20 0.71
▸ USP7 Q93009 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ RORC P51449 1/20 0.61

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
SCHEMBL27366480 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553226 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL91617 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL7717245 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL2582911 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL25972866 0.93 NOS2 (0.86) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994632 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994634 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20128433 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL16526572 0.87 NOS2 (0.77) 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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2021-03-11 — — US claimed
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2021-01-26 — — US claimed
US-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2019-11-05 — — US claimed
US-10335420-B2 Nanoparticle-based tumor-targeted drug delivery THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 — — US claimed
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2019-03-14 — — US claimed
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2017-08-17 — — US claimed
US-20170224838-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE (US) 2017-08-10 — — US claimed
US-9616137-B2 Nanoparticle-based tumor-targeted drug delivery THE SCRIPPS RESEARCH INSTITUTE (US) 2017-04-11 — — US claimed
US-20170056373-A1 GHRELIN O-ACYLTRANSFERASE INHIBITORS SYRACUSE UNIVERSITY (US) 2017-03-02 — — US claimed
US-20130330399-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE 2013-12-12 — — US claimed
EP-2611421-A2 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY The Scripps Research Institute (US) 2013-07-10 — — EP claimed
WO-2012031175-A9 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-20 — — WO claimed
WO-2012031175-A2 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-08 — — WO claimed
US-20120058177-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE 2012-03-08 — — US claimed
US-20230365621-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM TRITERPENOID THERAPEUTICS INC (US) 2023-11-16 — — US disclosed
US-20230190720-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS KAHRS, Bjoern Colin (CH) 2023-06-22 — — US disclosed
US-20220184219-A1 Method of Making Prodrug for Sustained and Controlled Release UNIVERSITY OF CINCINNATI (US) 2022-06-16 — — US disclosed
WO-2004064723-A2 INHIBITORS AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2004-08-05 — — WO disclosed
US-20040002463-A1 Inhibitors and methods of use thereof THE TRUSTEES OF DARTMOUTH COLLEGE 2004-01-01 — — US disclosed
US-20040002463-A1 Inhibitors and methods of use thereof THE TRUSTEES OF DARTMOUTH COLLEGE 2004-01-01 — — 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 (13 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-20130330399-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY LGMN, LNPEP, CLTA NOS2 4512/4885MBOAT4 2367/4885CCR6 3666/4885
US-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 NOS2 1063/4885MBOAT4 3721/4885CCR6 2689/4885
US-20230365621-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM CDYL2, CYP11B2, HSD17B13 NOS2 1980/4885MBOAT4 3144/4885CCR6 4292/4885
US-20170224838-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY LGMN, LAMP1, LNPEP NOS2 4488/4885MBOAT4 2276/4885CCR6 3784/4885
US-10335420-B2 Nanoparticle-based tumor-targeted drug delivery LGMN, LAMP1, LNPEP NOS2 4488/4885MBOAT4 2276/4885CCR6 3784/4885
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 NOS2 1063/4885MBOAT4 3721/4885CCR6 2689/4885
US-20040002463-A1 Inhibitors and methods of use thereof IRF3, MIF, IFNG NOS2 10/4885MBOAT4 937/4885CCR6 2089/4885
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 NOS2 1063/4885MBOAT4 3721/4885CCR6 2689/4885
US-20220184219-A1 Method of Making Prodrug for Sustained and Controlled Release ROS1, NOX4, CHERP NOS2 1035/4885MBOAT4 1790/4885CCR6 4260/4885
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 NOS2 1639/4885MBOAT4 2888/4885CCR6 4074/4885
US-20120058177-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY LGMN, LNPEP, CLTA NOS2 4512/4885MBOAT4 2367/4885CCR6 3666/4885
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 NOS2 2389/4885MBOAT4 3656/4885CCR6 4298/4885
US-20230190720-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS PPARG, PPARA, PPARD NOS2 633/4885MBOAT4 916/4885CCR6 1416/4885

“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.