Sugi Predict

Sugi Predict / Compounds / SCHEMBL4464475

SCHEMBL4464475

SCHEMBL4464475

CCOC(=O)C(=CNC1CC1)C(=O)c1cc(Br)c(F)c(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.37
▸ MAPT P10636 6/20 0.35
▸ GAA P10253 4/20 0.35
▸ NPSR1 Q6W5P4 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DHODH Q02127 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPY1R P25929 1/20 0.32

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
SCHEMBL6475919 1.00 GPR35 (0.37) GPR35MAPTGAANPSR1MEN1
SCHEMBL8437121 0.89 POLB (0.39) GPR35MAPTGAANPSR1MEN1
SCHEMBL9562451 0.89 POLB (0.39) GPR35MAPTGAANPSR1MEN1
SCHEMBL8436286 0.89 MAPT (0.36) GPR35MAPTGAANPSR1MEN1
SCHEMBL8437126 0.89 POLB (0.39) GPR35MAPTGAANPSR1MEN1
SCHEMBL8436285 0.89 MAPT (0.36) GPR35MAPTGAANPSR1MEN1
SCHEMBL1005272 0.85 MAPT (0.43) MAPTGAANPSR1MEN1KMT2A
SCHEMBL6482749 0.85 MAPT (0.43) MAPTGAANPSR1MEN1KMT2A
SCHEMBL10771664 0.84 POLB (0.37) GPR35MAPTGAANPSR1MEN1
SCHEMBL10771670 0.84 POLB (0.37) GPR35MAPTGAANPSR1MEN1

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-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 — — US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 — — US disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 — — US disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 — — US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 — — US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 — — EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 — — 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 GPR35 3226/4885MAPT 4116/4885GAA 2040/4885
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 GPR35 4644/4885MAPT 3831/4885GAA 443/4885

“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.