Sugi Predict

Sugi Predict / Compounds / SCHEMBL20570902

SCHEMBL20570902

SCHEMBL20570902

COC(=O)c1c(-c2ccc(C(N)=O)cc2)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.39
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ MAP2K4 P45985 2/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL20569958 0.89 HDAC2 (0.38) HDAC2HDAC1MAPK14NR1H2NR1H3
SCHEMBL20495119 0.83 HDAC2 (0.40) HDAC2HDAC1MAP2K4MAPK14PIK3CD
SCHEMBL30071433 0.83 HDAC2 (0.40) HDAC2HDAC1MAP2K4MAPK14PIK3CD
SCHEMBL20569550 0.82 HDAC2 (0.40) HDAC2HDAC1MAP2K4MAPK14PIK3CD
SCHEMBL20571558 0.78 HDAC2 (0.41) GPR119HDAC2HDAC1NR1H2NR1H3
SCHEMBL20571067 0.76 PLA2G2A (0.43) NR1H2NR1H3
SCHEMBL20571400 0.75 MEN1 (0.39) MAP2K4MAPK14MEN1MAPTKMT2A
SCHEMBL30220573 0.73 MAPK14 (0.35) MAP2K4MAPK14NR1H2NR1H3MAPT
SCHEMBL20571060 0.72 PLA2G2A (0.40) NR1H2NR1H3
SCHEMBL31147905 0.71 KMT2A (0.49) HDAC2HDAC1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
CN-111163774-A Bacterial efflux pump inhibitors 罗格斯新泽西州立大学 2020-05-15 — — CN disclosed
EP-3630109-A1 BACTERIAL EFFLUX PUMP INHIBITORS Rutgers, the State University of New Jersey (US) 2020-04-08 — — EP disclosed
WO-2018218192-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-29 — — WO 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-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 GPR119 2384/4885HDAC2 3111/4885HDAC1 1634/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 GPR119 2384/4885HDAC2 3111/4885HDAC1 1634/4885

“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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