SCHEMBL2772914

SCHEMBL2772914

C[C@@H](Oc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.41
NAMPT P43490 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
NR1H3 Q13133 1/20 0.40
KMT2A Q03164 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
ABCB11 O95342 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 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
SCHEMBL988422 0.90 PTGDR2 (0.50) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL989265 0.90 PTGDR2 (0.50) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL988486 0.89 PTGDR2 (0.40) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL13160679 0.83 PTGDR2 (0.49) PTGDR2NAMPTCYP2C9HSD17B1HSD17B2
SCHEMBL2769871 0.82 PTGDR2 (0.58) PTGDR2
SCHEMBL990007 0.81 PTGDR2 (0.46) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL2772916 0.81 KMT2A (0.42) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL988487 0.80 PTGDR2 (0.41) PTGDR2NAMPTCYP3A4CYP2C9CYP2D6
SCHEMBL988451 0.80 KEAP1 (0.46) PTGDR2HSD17B1HSD17B2RORCRORB
SCHEMBL2772208 0.78 PTGDR2 (0.62) PTGDR2NR1H3

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-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 PTGDR2 377/4885NAMPT 3694/4885CYP3A4 231/4885

“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.