Sugi Predict

Sugi Predict / Compounds / SCHEMBL990842

SCHEMBL990842

SCHEMBL990842

COc1ccc2c(c1OC)C(=O)OC2CC(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ ALPL P05186 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PLAA Q9Y263 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GRM5 P41594 4/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ FDFT1 P37268 1/20 0.35

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
SCHEMBL991625 0.78 GRM5 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL4656000 0.78 HPGD (0.55) HPGDSMN1; SMN2GAAMAPTHSD17B10
SCHEMBL991376 0.78 HPGD (0.55) HPGDSMN1; SMN2GAAMAPTHSD17B10
SCHEMBL3772781 0.77 KDM4E (0.49) HPGDKDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL991436 0.77 KDM4E (0.49) HPGDKDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL16390663 0.74 EPHX2 (0.53) HPGDSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL990289 0.74 EPHX2 (0.53) HPGDSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL990847 0.73 GRM5 (0.49) HPGDKDM4EPOLBMAPTALDH1A1
SCHEMBL990965 0.73 GRM5 (0.44) HPGDMAPTKMT2AGRM5
SCHEMBL3379028 0.73 GRM5 (0.46) GRM5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272929-A1 ORGANIC COMPOUNDS UMBRICHT DANIEL (CH) 2015-10-01 — — US disclosed
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 — — EP disclosed
US-20140194423-A1 COMBINATION PRODUCTS GOMEZ-MANCILLA BALTAZAR (CH) 2014-07-10 — — US disclosed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 — — US disclosed
US-8703809-B2 Combination products NOVARTIS AG (CH) 2014-04-22 — — US disclosed
US-20130052644-A1 Predictive Markers Useful in the Treatment of Fragile X Syndrome (FXS) NOVARTIS AG (CH) 2013-02-28 — — US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 — — US disclosed
US-20120122878-A1 COMBINATION PRODUCTS NOVARTIS AG (CH) 2012-05-17 — — US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 — — EP disclosed
US-20100249136-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-30 — — US disclosed
US-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 — — US disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 — — US disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 — — US disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 — — EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 — — WO disclosed
WO-2009047303-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDER NOVARTIS AG (CH) 2009-04-16 — — WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 — — US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 — — WO disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 — — EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 — — 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 (9 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-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 HPGD 454/4885KDM4E 3641/4885SMN1; SMN2 3436/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HPGD 2602/4885KDM4E 1396/4885SMN1; SMN2 2443/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HPGD 2729/4885KDM4E 1443/4885SMN1; SMN2 2305/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HPGD 2729/4885KDM4E 1443/4885SMN1; SMN2 2305/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HPGD 834/4885KDM4E 318/4885SMN1; SMN2 2886/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HPGD 1225/4885KDM4E 1141/4885SMN1; SMN2 413/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HPGD 834/4885KDM4E 318/4885SMN1; SMN2 2886/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HPGD 1225/4885KDM4E 1141/4885SMN1; SMN2 413/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 HPGD 454/4885KDM4E 3641/4885SMN1; SMN2 3436/4885

“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.