SCHEMBL2770732

SCHEMBL2770732

CNC(C)c1ccc(OCC(=O)OC)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
PTGDR2 Q9Y5Y4 8/20 0.47
AR P10275 1/20 0.44
CASR P41180 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 3/20 0.41
CTSA P10619 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL988863 0.81 PTGDR2 (0.51) AKR1C3AKR1C2PTGDR2ARPPARD
SCHEMBL2770735 0.80 PTGDR2 (0.48) AKR1C3AKR1C2PTGDR2ARCYP1A2
SCHEMBL12948817 0.79 PTGDR2 (0.45) AKR1C3AKR1C2PTGDR2ARPPARD
SCHEMBL1690237 0.71 PTGDR2 (0.72) PTGDR2CTSA
SCHEMBL585016 0.70 KDM4E (0.68) PPARDPPARGPPARA
SCHEMBL988515 0.69 PTGDR2 (0.47) PTGDR2AR
SCHEMBL12147393 0.69 PTGDR2 (0.72) PTGDR2
SCHEMBL987439 0.69 PTGDR2 (0.54) AKR1C3AKR1C2PTGDR2PPARDPPARG
SCHEMBL12296386 0.69 PNMT (0.49)
SCHEMBL10087246 0.69 PNMT (0.49)

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-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 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 (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-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS HSD17B12, CYP2A13, CYP27A1 AKR1C3 16/4885AKR1C2 28/4885PTGDR2 377/4885

“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.