SCHEMBL990491

SCHEMBL990491

CS(=O)(=O)c1cc(-c2cc(C=O)ccc2O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
PELI1 Q96FA3 4/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALDH5A1 P51649 2/20 0.38
ABAT P80404 2/20 0.38
TRIM24 O15164 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ERN1 O75460 1/20 0.35
AOX1 Q06278 1/20 0.35
CNR2 P34972 1/20 0.34
RXRA P19793 1/20 0.33
NR4A2 P43354 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
SCHEMBL988296 0.82 PTGS2 (0.46) PTGS2ALDH1A1HPGDAOX1
SCHEMBL7754930 0.81 PTGS2 (0.39) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL989200 0.74 PTGDR2 (0.39) KDM4ENR1H2NR1H3ALDH1A1
SCHEMBL30456577 0.74 PTGS2 (0.55) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL24038842 0.74 PTGS2 (0.55) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL2559412 0.72 ACMSD (0.48) PTGS2KDM4ERAB9AALDH1A1HPGD
SCHEMBL2775394 0.72 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL29399275 0.71 ALDH1A1 (0.42) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL48553 0.71 ALDH1A1 (0.42) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL15329599 0.68 KDM4E (0.52) PTGS2KDM4ERAB9APELI1ALDH1A1

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 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-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
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 PTGS2 403/4885KDM4E 4169/4885RAB9A 2563/4885

“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.