SCHEMBL988486

SCHEMBL988486

C[C@H](Oc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.40
NAMPT P43490 1/20 0.40
ABCB11 O95342 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL989265 0.90 PTGDR2 (0.50) PTGDR2NAMPTABCB11RORCRORB
SCHEMBL988422 0.90 PTGDR2 (0.50) PTGDR2NAMPTABCB11RORCRORB
SCHEMBL2772914 0.89 PTGDR2 (0.41) PTGDR2NAMPTABCB11RORCRORB
SCHEMBL13160679 0.83 PTGDR2 (0.49) PTGDR2NAMPTABCB11HSD17B1HSD17B2
SCHEMBL990007 0.83 PTGDR2 (0.46) PTGDR2NAMPTRORCRORBHSD17B1
SCHEMBL2769871 0.82 PTGDR2 (0.58) PTGDR2
SCHEMBL988487 0.81 PTGDR2 (0.41) PTGDR2NAMPTRORCRORBHSD17B1
SCHEMBL2772916 0.79 KMT2A (0.42) PTGDR2NAMPTRORCRORBHSD17B1
SCHEMBL987480 0.79 HSD17B1 (0.48) NAMPTRORCRORBHSD17B1HSD17B2
SCHEMBL988451 0.78 KEAP1 (0.46) PTGDR2RORCRORBHSD17B1HSD17B2

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 3 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-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

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 PTGDR2 377/4885NAMPT 3694/4885ABCB11 314/4885

“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.