SCHEMBL506978

SCHEMBL506978

C[C@@H](OS(C)(=O)=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
STAT6 P42226 1/20 0.42
HIF1A Q16665 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 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
SCHEMBL1307914 1.00 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL1193499 1.00 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL18271132 0.87 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL10562572 0.84 CYP3A4 (0.44) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL16060205 0.78 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4
SCHEMBL16344889 0.78 KMT2A (0.42) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL25859835 0.78 KMT2A (0.42) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL23611650 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15540931 0.77 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL507136 0.77 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4KDM4ECYP3A4

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AUTOIMMUNE PHARMA LLC 2014-01-16 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US disclosed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US disclosed
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-10-18 US disclosed
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-10-18 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
WO-2007056228-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (GB) 2007-05-18 WO disclosed
WO-2007056021-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US 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 (6 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-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 SLC6A3 4883/4885SLC6A2 4873/4885SLC6A4 4715/4885
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 SLC6A3 4883/4885SLC6A2 4873/4885SLC6A4 4715/4885
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 SLC6A3 4883/4885SLC6A2 4873/4885SLC6A4 4715/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 SLC6A3 3891/4885SLC6A2 3310/4885SLC6A4 2469/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 SLC6A3 4883/4885SLC6A2 4873/4885SLC6A4 4715/4885
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LTA4H, ALOX5AP SLC6A3 4882/4885SLC6A2 4872/4885SLC6A4 4716/4885

“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.