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SCHEMBL988942

SCHEMBL988942

CN(Cc1ccc(OCC(=O)OC(C)(C)C)c(-c2cccc(C#N)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.42
▸ PTPN1 P18031 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ PTPRS Q13332 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ KCNA5 P22460 3/20 0.36
▸ ACLY P53396 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL2772080 0.91 MAOA (0.35) PTGDR2STAT3ALDH1A1LMNAMAPT
SCHEMBL987762 0.89 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL12948707 0.88 ALDH1A1 (0.39) PTGDR2PTPN1ALDH1A1LMNAMAPT
SCHEMBL14885448 0.86 PTGDR2 (0.42) PTGDR2PTPN1ALDH1A1LMNAMAPT
SCHEMBL12948710 0.85 KCNA5 (0.37) PTGDR2ALDH1A1LMNAPTGER1KCNA5
SCHEMBL987174 0.85 KCNA5 (0.37) PTGDR2ALDH1A1LMNAPTGER1RORC
SCHEMBL988484 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1LMNAPTGER1RORC
SCHEMBL988616 0.84 PTGDR2 (0.43) PTGDR2ALDH1A1LMNAMAPTHSD17B1
SCHEMBL2770500 0.83 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2771657 0.83 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS

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 8 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

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 377/4885PTPN1 3204/4885PTPN2 2695/4885

“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.