SCHEMBL4354010

SCHEMBL4354010

Cc1c(Cl)cc(Cl)c(O)c1NCc1cccc(Oc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
FAAH O00519 1/20 0.41
FFAR1 O14842 5/20 0.40
MAPT P10636 1/20 0.39
MMP13 P45452 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FDFT1 P37268 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GNA15 P30679 1/20 0.37
PTGER3 P43115 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4349242 0.85 FFAR1 (0.47) FAAHFFAR1MAPTHTTSMN1; SMN2
SCHEMBL12846780 0.85 FAAH (0.39) PPARGPPARDPPARAFAAHFFAR1
SCHEMBL4354087 0.83 ACLY (0.43) PPARGPPARDPPARAFAAHFFAR1
SCHEMBL4342234 0.82 FAAH (0.42) PPARGPPARDPPARAFAAHFFAR1
SCHEMBL12846748 0.80 MAPT (0.38) PPARGPPARDPPARAFAAHFFAR1
SCHEMBL4352203 0.79 MAPT (0.50) FAAHFFAR1MAPTGNA15PTGER3
SCHEMBL4345623 0.77 MEN1 (0.58) FFAR1MAPTKDM4EALDH1A1LMNA
SCHEMBL4354230 0.76 FFAR1 (0.47) FAAHFFAR1MAPTALDH1A1LMNA
SCHEMBL4353965 0.76 FAAH (0.42) FAAHFFAR1MAPTHTTSMN1; SMN2
SCHEMBL4351710 0.76 FAAH (0.42) PPARGPPARDPPARAFAAHFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 PPARG 417/4885PPARD 499/4885PPARA 683/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 PPARG 143/4885PPARD 172/4885PPARA 369/4885

“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.