Sugi Predict

Sugi Predict / Compounds / SCHEMBL1243987

SCHEMBL1243987

SCHEMBL1243987

CC1CCc2c(C(=O)O)c(=O)c3cc(F)c(NC4CCCCC4)cc3n2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ FOXO1 Q12778 1/20 0.39
▸ PIM1 P11309 2/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CSNK1G3 Q9Y6M4 1/20 0.35
▸ CREBBP Q92793 2/20 0.34
▸ PTGDR2 Q9Y5Y4 8/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CSNK1G1 Q9HCP0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL262303 0.86 GAA (0.48) MEN1KMT2AGAAFOXO1PIM1
SCHEMBL1243945 0.78 MEN1 (0.49) MEN1KMT2AGAAFOXO1PIM1
SCHEMBL1242560 0.75 GAA (0.49) MEN1KMT2AGAAFOXO1PIM1
SCHEMBL1242800 0.73 GAA (0.48) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL1242686 0.73 GAA (0.52) MEN1KMT2AGAAALDH1A1
SCHEMBL1243574 0.71 MEN1 (0.50) MEN1KMT2AGAAFOXO1
SCHEMBL1242622 0.70 MEN1 (0.56) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL262257 0.70 KDM4E (0.58) MEN1KMT2AGAAFOXO1GSK3B
SCHEMBL262175 0.69 GAA (0.48) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL1243866 0.69 KMT2A (0.81) MEN1KMT2AGAAFOXO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 — — US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 — — US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 — — US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 — — US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 — — EP 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885

“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.