SCHEMBL2778484

SCHEMBL2778484

CC(C)(Oc1ccc(N)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.45
PPARD Q03181 14/20 0.45
PPARG P37231 10/20 0.45
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL1116813 0.81 PPARA (0.54) PPARAPPARDPPARGGAAALDH1A1
SCHEMBL14783095 0.78 TSHR (0.47) GLAPOLBGAATSHRALDH1A1
SCHEMBL1044701 0.77 KDM4E (0.58) PPARAPPARDPPARGALDH1A1KDM4E
SCHEMBL945792 0.76 GAA (0.57) GLAPOLBGAATSHRALDH1A1
SCHEMBL31315637 0.76 GAA (0.57) GLAPOLBGAATSHRALDH1A1
SCHEMBL130594 0.74 GAA (0.55) GLAPOLBGAATSHRALDH1A1
SCHEMBL30835355 0.74 RXRA (0.46) GLAPOLBGAATSHRALDH1A1
SCHEMBL29404322 0.74 GAA (0.59) GLAPOLBGAATSHRALDH1A1
SCHEMBL436804 0.74 GAA (0.59) GLAPOLBGAATSHRALDH1A1
SCHEMBL20576242 0.74 THRA (0.48) PPARAPPARDPPARGGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF PPARA 4445/4885PPARD 3373/4885PPARG 3619/4885

“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.