SCHEMBL14717438

SCHEMBL14717438

NCCC[C@@H](Cc1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KCNH2 Q12809 2/20 0.38
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SLC7A5 Q01650 1/20 0.35
FFAR1 O14842 1/20 0.34
MME P08473 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
DAGLB Q8NCG7 1/20 0.33
NAMPT P43490 1/20 0.33
MMP2 P08253 1/20 0.33
PPARG P37231 1/20 0.33
PTPN1 P18031 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
SCHEMBL14717440 1.00 DAGLA (0.38) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14732888 0.90 DAGLA (0.40) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14732890 0.89 PPARG (0.35) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14717042 0.84 MEN1 (0.38) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14717043 0.84 MEN1 (0.38) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14732889 0.81 PPARG (0.36) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14717193 0.75 DAGLA (0.37) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14717195 0.75 DAGLA (0.37) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14717196 0.75 DAGLA (0.37) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14733667 0.66 PPARG (0.35) DAGLACYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
EP-2542537-B1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2014-05-21 EP disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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 (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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA DAGLA 4550/4885CYP3A4 583/4885CYP2D6 1196/4885

“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.