SCHEMBL1925145

SCHEMBL1925145

O=C(CC(=O)C(F)(F)F)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.59
PLOD3 O60568 2/20 0.53
PLOD1 Q02809 2/20 0.53
NOTUM Q6P988 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTPN1 P18031 2/20 0.40
POLB P06746 1/20 0.39
KIF11 P52732 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL6313753 0.87 PLOD2 (0.56) PLOD2PLOD3PLOD1NOTUMPTPN1
SCHEMBL1924261 0.87 PLOD2 (0.60) PLOD2PLOD3PLOD1NOTUMPTPN1
SCHEMBL1924352 0.87 PLOD2 (0.60) PLOD2PLOD3PLOD1TAS1R3TAS1R1
SCHEMBL1924656 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1NOTUMPTPN1
SCHEMBL1349593 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1NOTUMPTPN1
SCHEMBL1924549 0.82 PLOD2 (0.50) PLOD2PLOD3PLOD1NOTUMRXRA
SCHEMBL1346578 0.81 PLOD2 (0.49) PLOD2PLOD3PLOD1NOTUMRXRA
SCHEMBL1924095 0.81 PLOD2 (0.49) PLOD2PLOD3PLOD1RXRARXRB
SCHEMBL1924755 0.79 PLOD2 (0.48) PLOD2PLOD3PLOD1NOTUMRXRA
SCHEMBL1925511 0.79 RXRA (0.50) PLOD2PLOD3PLOD1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885

“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.