Sugi Predict

Sugi Predict / Compounds / SCHEMBL2116667

SCHEMBL2116667

SCHEMBL2116667

COC(=O)C(CNC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2n1)NS(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ CA7 P43166 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ FNTA P49354 2/20 0.35
▸ PGGT1B P53609 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL2116269 0.84 FDPS (0.39) CA1FNTAPGGT1BTDP1HDAC3
Hydrochloric Acid SCHEMBL2116377 0.84 FDPS (0.38) CA1FNTAPGGT1BTDP1HDAC3
SCHEMBL2115818 0.77 KYNU (0.45) CTSSCTSKFNTAHDAC3HDAC4
SCHEMBL2119125 0.77 FDPS (0.42) FNTAPGGT1BTDP1HDAC3HDAC4
Hydrochloric Acid SCHEMBL2119121 0.76 FDPS (0.42) FNTAPGGT1BTDP1HDAC3HDAC4
SCHEMBL2116668 0.75 FDPS (0.35) FNTAPGGT1BTDP1HDAC3HDAC4
SCHEMBL2117513 0.74 ITGAV (0.39) FDPSCASP1
Ammonia Solution, Strong SCHEMBL2116274 0.72 HDAC3 (0.38) FNTAPGGT1BTDP1HDAC3HDAC4
SCHEMBL7655320 0.72 ITGAV (0.44) CTSSCTSKNQO2CASP1
SCHEMBL7655323 0.72 ITGAV (0.44) CTSSCTSKNQO2CASP1

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 — — EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — WO disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — 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 (1 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 CA12 4845/4885CA14 4846/4885CA7 4201/4885

“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.