Sugi Predict

Sugi Predict / Compounds / SCHEMBL828221

SCHEMBL828221

SCHEMBL828221

CCN(C(=O)OC(C)(C)C)c1cc(C(=NO)C(=O)c2ccc(F)cc2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ GRM1 Q13255 1/20 0.32
▸ PROKR1 Q8TCW9 2/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL830760 1.00 HDAC1 (0.33) HDAC1HDAC8HDAC6ALDH1A1SSTR4
SCHEMBL829402 0.89 AAK1 (0.34) HDAC1HDAC8HDAC6ALDH1A1SSTR4
SCHEMBL828282 0.89 AAK1 (0.34) HDAC1HDAC8HDAC6ALDH1A1SSTR4
SCHEMBL828691 0.88 POLB (0.39) HDAC1HDAC8HDAC6
SCHEMBL863156 0.88 POLB (0.39) HDAC1HDAC8HDAC6
SCHEMBL828825 0.87 PROKR1 (0.35) ALDH1A1SSTR4GRM1PROKR1GRM2
SCHEMBL828699 0.87 PROKR1 (0.35) ALDH1A1SSTR4GRM1PROKR1GRM2
SCHEMBL829906 0.85 SSTR4 (0.33) ALDH1A1SSTR4GRM2AAK1
SCHEMBL828285 0.85 SSTR4 (0.33) ALDH1A1SSTR4GRM2AAK1
SCHEMBL829522 0.84 ALDH1A1 (0.35) ALDH1A1SSTR4GRM1PROKR1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 — — US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 — — US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 — — US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 — — US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 — — US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 — — US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 — — 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 (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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 HDAC1 1001/4885HDAC8 643/4885HDAC6 838/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 HDAC1 1001/4885HDAC8 643/4885HDAC6 838/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B HDAC1 308/4885HDAC8 965/4885HDAC6 191/4885

“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.