SCHEMBL4351860

SCHEMBL4351860

CC(=O)Nc1ccc(Sc2ccccc2CNc2cccc(CO)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
SLC6A9 P48067 1/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP12 P39900 3/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
BLM P54132 1/20 0.38
GAA P10253 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 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
SCHEMBL4353960 0.88 MAPT (0.43) LMNATHRBSLC6A9MMP2MMP9
SCHEMBL4347664 0.88 SMN1; SMN2 (0.41) LMNATHRBSLC6A9MMP2MMP9
SCHEMBL4342203 0.87 KDM4E (0.47) LMNATHRBSLC6A9MMP2MMP9
SCHEMBL4346119 0.83 MEN1 (0.41) LMNAMMP2MMP9MMP12MMP14
SCHEMBL4357506 0.83 EGFR (0.44) SLC6A9PTPN1SMN1; SMN2HPGDTP53
SCHEMBL4346367 0.83 SMN1; SMN2 (0.43) LMNAMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL4354134 0.83 LMNA (0.40) LMNATHRBSLC6A9MMP2MMP9
SCHEMBL6227136 0.82 LMNA (0.39) LMNATHRBSLC6A9SMN1; SMN2TP53
SCHEMBL4354635 0.82 LMNA (0.44) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4346228 0.81 MAPT (0.43) SLC6A9MEN1KMT2APTPN1SMN1; SMN2

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 8 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-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO 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 LMNA 3160/4885THRB 367/4885SLC6A9 2808/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885THRB 513/4885SLC6A9 3588/4885

“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.