SCHEMBL16629037

SCHEMBL16629037

CC(C)(C)OC(=O)N1CC(CSC(=O)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
NAMPT P43490 1/20 0.51
USP30 Q70CQ3 3/20 0.45
RORC P51449 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
NR1H2 P55055 1/20 0.44
HPGDS O60760 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ABCB1 P08183 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL21640298 0.81 KDM4E (0.49) KDM4EPKMNAMPTUSP30RORC
SCHEMBL1336012 0.81 NR1H2 (0.53) KDM4EPKMNAMPTRORCNR1H2
SCHEMBL16629059 0.78 KDM4E (0.52) KDM4EPKMNAMPTUSP30RORC
SCHEMBL30954341 0.78 NAMPT (0.49) KDM4EPKMNAMPTRORCGPR119
SCHEMBL27400480 0.77 KDM4E (0.46) KDM4EPKMNAMPTUSP30RORC
SCHEMBL17736150 0.77 NAMPT (0.56) KDM4EPKMNAMPTUSP30RORC
SCHEMBL8302357 0.76 KDM4E (0.45) KDM4EPKMNAMPTUSP30RORC
SCHEMBL8303730 0.76 KDM4E (0.45) KDM4EPKMNAMPTUSP30RORC
SCHEMBL387603 0.76 GPR119 (0.52) KDM4EPKMGPR119
SCHEMBL2882463 0.75 KDM4E (0.51) KDM4EPKMNAMPTUSP30RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
WO-2015051230-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2015-04-09 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-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 KDM4E 1706/4885PKM 4032/4885NAMPT 732/4885

“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.