SCHEMBL20125284

SCHEMBL20125284

CC(C)(C)OC(=O)NOC(C)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 3/20 0.36
CA14 Q9ULX7 2/20 0.36
APLNR P35414 1/20 0.36
DGAT1 O75907 1/20 0.34
CTSK P43235 4/20 0.34
CYP2D6 P10635 1/20 0.34
CA9 Q16790 1/20 0.33
CTSS P25774 1/20 0.33
EPHX1 P07099 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
SCHEMBL1579422 0.83 TDP1 (0.43) TDP1CA1CA2CA7MAOA
SCHEMBL191649 0.80 CA12 (0.41) TDP1CA1CA2CA7MAOA
SCHEMBL24074502 0.72 TDP1 (0.36) TDP1CA1CA2CA7MAOA
SCHEMBL18735658 0.72 L3MBTL1 (0.39) TDP1CA1CA2CA7MAOA
SCHEMBL31080044 0.72 DGAT1 (0.45) TDP1CA1CA2CA7MAOA
SCHEMBL22269154 0.72 TDP1 (0.35) TDP1CA1CA2CA7MAOA
SCHEMBL3709339 0.71 TDP1 (0.47) TDP1CA1CA2CA7MAOA
SCHEMBL28346521 0.71 TDP1 (0.43) TDP1CA1CA2CA7MAOA
SCHEMBL28067049 0.71 PTGS1 (0.31)
SCHEMBL18735657 0.71 DGAT1 (0.48) TDP1CA1CA2CA7MAOA

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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 TDP1 4496/4885CA1 2120/4885CA2 859/4885

“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.