Sugi Predict

Sugi Predict / Compounds / SCHEMBL2116647

SCHEMBL2116647

SCHEMBL2116647

O=P(O)(O)CCc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 5/20 0.41
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CTSG P08311 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL2118355 0.86 PGK1 (0.51) ACP3CA12CA2MMP2MMP9
SCHEMBL2116259 0.81 KDM4E (0.43) PDE10AL3MBTL1
SCHEMBL2116264 0.81 PPARG (0.34) PDE10APARP1
SCHEMBL2115446 0.78 CCR1 (0.55) CA2HDAC8HDAC6PARP1
SCHEMBL27822144 0.76 TDP1 (0.49) PARP1
SCHEMBL27822129 0.76 KDM4E (0.36) PDE10AL3MBTL1PARP1
SCHEMBL2122445 0.76 ACP3 (0.39) ACP3CA12CA2MMP2MMP9
SCHEMBL2118237 0.75 ACP3 (0.40) ACP3CA12CA2MMP2MMP9
Hydrochloric Acid SCHEMBL2118473 0.74 KCNQ3 (0.38) PDE10AL3MBTL1
Phosphoric Acid SCHEMBL547015 0.73 ACP3 (0.55) ACP3CA12CA2MMP2MMP9

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 8 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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 — — CN claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 — — EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — WO 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
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US 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 ACP3 556/4885CA12 4845/4885CA2 4371/4885

“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.