SCHEMBL150626

SCHEMBL150626

CCOC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
HTR1A P08908 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2A1 Q16548 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL137430 0.90 ALDH1A1 (0.41) RAB9APOLBNPC1SMN1; SMN2NPSR1
SCHEMBL149845 0.85 ALDH1A1 (0.38) HSD11B1HTR1AHTR1DHTR1BPOLB
SCHEMBL135160 0.80 PRMT5 (0.48) KMT2A
SCHEMBL2080627 0.79 PPARD (0.47) HSD11B1HTR1AHTR1DHTR1BPOLB
SCHEMBL6862285 0.79 ALDH1A1 (0.44) POLBNPSR1TP53MAPTHPGD
SCHEMBL137426 0.79 EGFR (0.52) POLBGAAMAPTKMT2AEPHX2
SCHEMBL9979471 0.78 TSHR (0.51) POLBSMN1; SMN2GAAMAPTKMT2A
SCHEMBL17164924 0.78 PPARG (0.41) HTR1DPOLBSMN1; SMN2MAPT
SCHEMBL671079 0.78 POLQ (0.45) RAB9ASMN1; SMN2GAAMAPTHPGD
SCHEMBL670283 0.78 EPHX2 (0.40) RAB9APOLBNPC1SMN1; SMN2KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-8067445-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-29 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSD11B1 834/4885HTR1A 250/4885HTR1D 106/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSD11B1 834/4885HTR1A 250/4885HTR1D 106/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSD11B1 834/4885HTR1A 250/4885HTR1D 106/4885

“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.