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SCHEMBL2772080

SCHEMBL2772080

CN(Cc1ccc(OCC(=O)OC(C)(C)C)c(-c2cc(F)cc(C#N)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ PTGDR2 Q9Y5Y4 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ EPAS1 Q99814 3/20 0.34
▸ NLRP3 Q96P20 1/20 0.33
▸ SQLE Q14534 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NSD2 O96028 1/20 0.33

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
SCHEMBL988942 0.91 PTGDR2 (0.42) MAOAMAOBCASP3PTGDR2ALDH1A1
SCHEMBL2773216 0.89 PTGDR2 (0.46) MAOAMAOBCASP3PTGDR2ALDH1A1
SCHEMBL14875208 0.88 MAOA (0.39) MAOAMAOBCASP3PTGDR2ALDH1A1
SCHEMBL2772746 0.87 MEN1 (0.38) MAOAMAOBCASP3PTGDR2ALDH1A1
SCHEMBL1082349 0.87 MLNR (0.40) PTGDR2ALDH1A1LMNAKMT2A
SCHEMBL2771016 0.85 PTGDR2 (0.52) PTGDR2ALDH1A1LMNAMAPTHPGD
SCHEMBL2772051 0.83 PTGDR2 (0.47) PTGDR2
SCHEMBL14882694 0.83 MAOA (0.39) MAOAMAOBCASP3LMNAEPAS1
SCHEMBL988616 0.83 PTGDR2 (0.43) MAOAMAOBCASP3PTGDR2ALDH1A1
SCHEMBL12948707 0.82 ALDH1A1 (0.39) MAOAMAOBCASP3PTGDR2ALDH1A1

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-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 MAOA 165/4885MAOB 341/4885CASP3 2254/4885

“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.