SCHEMBL5069199

SCHEMBL5069199

CC(C)(C)OC(=O)Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 6/20 0.55
PPARG P37231 2/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
BCL2 P10415 2/20 0.43
MCL1 Q07820 2/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42

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
SCHEMBL19470070 0.88 PLA2G4A (0.43) PLA2G4APPARGPPARDPPARATUBB4A
SCHEMBL12277803 0.84 PLA2G4A (0.42) PLA2G4APPARGPPARDPPARATUBB4A
SCHEMBL5069169 0.83 PPARD (0.44) PLA2G4APPARGPPARDPPARA
SCHEMBL23810852 0.83 NTSR1 (0.51) ATMHDAC6ROCK2
SCHEMBL13836584 0.83 NTSR1 (0.51) PLA2G4APPARGPPARDPPARAATM
SCHEMBL15921713 0.80 PLA2G4A (0.55) PLA2G4APPARGPPARDPPARATUBB4A
SCHEMBL28607801 0.80 KMT2A (0.60) PLA2G4APPARGPPARDPPARATUBB4A
SCHEMBL20592531 0.80 HDAC6 (0.52) PLA2G4AHDAC6KDM4E
SCHEMBL27844158 0.80 NPY5R (0.45) PLA2G4APPARDPPARAATMHDAC6
SCHEMBL5070880 0.79 PLA2G4A (0.48) PLA2G4APPARGBCL2MCL1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106413707-A Amide compounds for treatment of complement mediated disorders 艾其林医药公司 2017-02-15 CN disclosed
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 US disclosed
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 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 (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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB PLA2G4A 1164/4885PPARG 1967/4885PPARD 1104/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 PLA2G4A 4463/4885PPARG 3132/4885PPARD 2784/4885

“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.