SCHEMBL7305261

SCHEMBL7305261

CC(C)(C)OC(=O)N1[C@@H](CCCO)COC1(C)C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.49
HSD11B2 P80365 1/20 0.37
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
NR1H2 P55055 1/20 0.34
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL6208002 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL6208006 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL8055345 0.96 SPHK1 (0.48) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL8053046 0.96 SPHK1 (0.48) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL13040191 0.96 SPHK1 (0.48) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL16053956 0.95 SPHK1 (0.50) SPHK1HSD11B2BRD4TDP1NR1H2
SCHEMBL15318844 0.92 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1068504 0.92 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1068506 0.92 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL16071281 0.89 SPHK1 (0.58) SPHK1HSD11B2BRD4NR1H2HCRTR2

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
WO-2025043115-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2025-02-27 WO disclosed
US-10450325-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2019-10-22 US disclosed
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION 2018-04-12 US disclosed
US-9802957-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802957-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20150344497-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION (US) 2015-12-03 US disclosed
US-20150344497-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION (US) 2015-12-03 US disclosed
WO-2015168246-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION (US) 2015-11-05 WO disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 US disclosed
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 US disclosed
WO-2008116302-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-10-02 WO disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 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 (4 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-10450325-B2 Processes of preparing a JAK1 inhibitor and new forms thereto JAK1, JAK2, JAK3 SPHK1 2466/4885HSD11B2 3374/4885BRD4 1930/4885
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSZ SPHK1 2421/4885HSD11B2 2906/4885BRD4 2292/4885
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO JAK1, JAK2, JAK3 SPHK1 2466/4885HSD11B2 3374/4885BRD4 1930/4885
US-20150344497-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO JAK1, JAK2, JAK3 SPHK1 2466/4885HSD11B2 3374/4885BRD4 1930/4885

“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.