SCHEMBL987480

SCHEMBL987480

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
NR1H3 Q13133 1/20 0.46
NAMPT P43490 2/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
CASP3 P42574 2/20 0.43
KMT2A Q03164 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RORC P51449 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
PTPN5 P54829 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3668839 0.85 NR1H3 (0.53) HSD17B1HSD17B2NR1H3NAMPTKMT2A
SCHEMBL2769871 0.83 PTGDR2 (0.58) CA12CA1CA2CA4CA9
SCHEMBL990007 0.82 PTGDR2 (0.46) HSD17B1HSD17B2NR1H3NAMPTMAOA
SCHEMBL989265 0.82 PTGDR2 (0.50) HSD17B1HSD17B2NR1H3NAMPTRORC
SCHEMBL988422 0.82 PTGDR2 (0.50) HSD17B1HSD17B2NR1H3NAMPTRORC
SCHEMBL988487 0.81 PTGDR2 (0.41) HSD17B1HSD17B2NR1H3NAMPTMAOA
SCHEMBL988451 0.81 KEAP1 (0.46) HSD17B1HSD17B2RORCRORB
SCHEMBL2772916 0.79 KMT2A (0.42) HSD17B1HSD17B2NR1H3NAMPTKMT2A
SCHEMBL988486 0.79 PTGDR2 (0.40) HSD17B1HSD17B2NR1H3NAMPTRORC
SCHEMBL2770198 0.79 PTGDR2 (0.47) HSD17B1HSD17B2NR1H3NAMPTKMT2A

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 HSD17B1 68/4885HSD17B2 57/4885NR1H3 44/4885

“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.