SCHEMBL2197146

SCHEMBL2197146

CC(C)(C)OC(=O)NNC[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSK P43235 7/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2194505 1.00 APLNR (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL19091350 1.00 APLNR (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL28375210 0.83 APLNR (0.44) APLNRTDP1CA1CA2CA7
SCHEMBL8356011 0.82 APLNR (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL1222350 0.81 TDP1 (0.49) APLNRTDP1CA1CA2CA7
SCHEMBL3166361 0.81 TDP1 (0.49) APLNRTDP1CA1CA2CA7
SCHEMBL1222348 0.81 TDP1 (0.49) APLNRTDP1CA1CA2CA7
SCHEMBL18756327 0.81 APLNR (0.43) APLNRTDP1CA1CA2CA7
SCHEMBL2671597 0.79 APLNR (0.46) APLNRTDP1CA1CA2CA7
SCHEMBL18756255 0.77 APLNR (0.41) APLNRTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 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 (5 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 APLNR 3591/4885TDP1 4057/4885CA1 4858/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885TDP1 4057/4885CA1 4858/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 APLNR 3591/4885TDP1 4057/4885CA1 4858/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 APLNR 4487/4885TDP1 1477/4885CA1 4830/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885TDP1 4057/4885CA1 4858/4885

“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.