SCHEMBL1968543

SCHEMBL1968543

COc1ccc(C(O)CN(CC2CC2)C(=O)c2ncsc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 6/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
RORB Q92753 2/20 0.40
CTSA P10619 4/20 0.36
RORC P51449 1/20 0.35
SCD O00767 2/20 0.35
MCHR1 Q99705 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PLK1 P53350 1/20 0.34

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
SCHEMBL1970381 0.90 CYP1A2 (0.40) LTC4SCTSASCD
SCHEMBL1966277 0.89 HCRTR1 (0.38) LTC4SCTSA
SCHEMBL2405173 0.89 HCRTR2 (0.40) LTC4SCTSA
SCHEMBL1970924 0.89 KDM4E (0.38) LTC4S
SCHEMBL1968328 0.88 HCRTR2 (0.43) LTC4SCTSA
SCHEMBL1967810 0.86 AKR1C3 (0.39) LTC4SAKR1C3AKR1C2RORBCTSA
SCHEMBL1967956 0.86 LPAR1 (0.38) LTC4SNPSR1
SCHEMBL1968184 0.85 LTC4S (0.42) LTC4SAKR1C3RORBRORCSCD
SCHEMBL1967610 0.83 LPAR1 (0.36)
SCHEMBL1970015 0.81 RORB (0.41) LTC4SAKR1C3AKR1C2RORBCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 LTC4S 2070/4885AKR1C3 827/4885AKR1C2 1223/4885

“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.