SCHEMBL4346771

SCHEMBL4346771

CC(C)(C)NC(=S)Nc1ccc(F)c(F)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
HTT P42858 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
ALOX12 P18054 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL4352226 0.84 POLB (0.46) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4346266 0.81 POLB (0.48) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6568611 0.81 HTT (0.50) HTTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4352164 0.77 LMNA (0.42) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4344475 0.74 RAB9A (0.57) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4346925 0.73 ALDH1A1 (0.50) HTTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4347075 0.73 MEN1 (0.54) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4360056 0.73 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2ALOX12CYP1A2
SCHEMBL6226388 0.73 ALDH1A1 (0.43) POLBHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4349755 0.72 MAOB (0.58) HTTKMT2AALDH1A1SMN1; SMN2MEN1

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 POLB 3571/4885HTT 3824/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 POLB 2402/4885HTT 3995/4885KMT2A 1254/4885

“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.