SCHEMBL901126

SCHEMBL901126

COC(=O)C(C(C)=O)C(C)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.48
FFAR2 O15552 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PRCP P42785 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7062569 0.85 BRD4 (0.54) BRD4L3MBTL1FFAR2SLC6A2SLC6A3
SCHEMBL7057177 0.84 BRD4 (0.53) BRD4L3MBTL1ALDH1A1CYP3A4
SCHEMBL7061438 0.83 GAA (0.43) HDAC4HDAC7HDAC5ALDH1A1CYP3A4
SCHEMBL7058159 0.83 RAB9A (0.47) L3MBTL1ALDH1A1NPSR1CYP2C19
SCHEMBL3236310 0.83 KMT2A (0.56) ALDH1A1CYP3A4CYP2C19
SCHEMBL7056919 0.81 SMN1; SMN2 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB2
SCHEMBL15295278 0.80 MAPT (0.45) BRD4SLC6A2SLC6A3ALDH1A1CHRNB2
SCHEMBL7060662 0.78 NPC1 (0.47) SLC6A3ALDH1A1CYP2C19
SCHEMBL14625438 0.78 BRD4 (0.50) BRD4L3MBTL1FFAR2SLC6A2SLC6A4
SCHEMBL7059054 0.78 ALDH1A1 (0.47) BRD4L3MBTL1ALDH1A1NPSR1CNR2

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
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 EP disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 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 (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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 BRD4 718/4885L3MBTL1 3226/4885FFAR2 306/4885

“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.