SCHEMBL2772569

SCHEMBL2772569

CN(Cc1ccc(OCC(=O)O)c(-c2cccc(Br)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
PTPN1 P18031 3/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
FFAR1 O14842 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2773535 0.92 PTGDR2 (0.49) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2771155 0.91 PTGDR2 (0.57) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2772807 0.90 PTGDR2 (0.48) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2771512 0.90 HSD17B1 (0.54) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2771950 0.90 PTGDR2 (0.49) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2773337 0.90 PTGDR2 (0.58) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2772422 0.89 PTGDR2 (0.48) PTGDR2ALDH1A1LMNAMAPTCA12
SCHEMBL2771462 0.89 CA12 (0.48) PTGDR2ALDH1A1LMNAMAPTCA12
SCHEMBL12948706 0.89 PTGDR2 (0.47) KMT2APTGDR2ALDH1A1LMNAMAPT
SCHEMBL2772380 0.89 PTGDR2 (0.60) KMT2APTGDR2ALDH1A1LMNAMAPT

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 10 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 claimed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US claimed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO claimed
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

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 KMT2A 3011/4885PTGDR2 377/4885ALDH1A1 205/4885

“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.