SCHEMBL3911344

SCHEMBL3911344

CC(C)(C)OC(=O)N1CCC(NC(N)=S)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.65
ALDH1A1 P00352 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
EPHX2 P34913 3/20 0.48
PARP1 P09874 1/20 0.47
RECQL P46063 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL14450277 0.88 EPHX1 (0.68) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL10165816 0.85 EPHX1 (0.65) EPHX1ALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL538324 0.84 EPHX1 (0.63) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL31032306 0.83 CA1 (0.60) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL2014950 0.83 EPHX1 (0.70) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL18926997 0.83 EPHX1 (0.70) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL14392012 0.82 EPHX1 (0.62) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL2016955 0.81 EPHX1 (0.68) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL16441225 0.81 EPHX1 (0.68) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL10200817 0.81 EPHX1 (0.68) EPHX1ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 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 (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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 EPHX1 1093/4885ALDH1A1 2163/4885CA12 4125/4885

“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.