SCHEMBL16409166

SCHEMBL16409166

CC(=O)[C@@](C)(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 2/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 3/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35
CTSK P43235 4/20 0.33
DGAT1 O75907 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA9 Q16790 1/20 0.32
CTSS P25774 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL16409143 1.00 TDP1 (0.42) TDP1CA1CA2CA7GAA
SCHEMBL20221685 1.00 TDP1 (0.42) TDP1CA1CA2CA7GAA
SCHEMBL14550828 0.84 CA1 (0.39) TDP1CA1CA2CA7GAA
SCHEMBL201901 0.84 TDP1 (0.42) TDP1CA1CA2CA7GAA
SCHEMBL3936414 0.84 DGAT1 (0.47) TDP1CA1CA2CA7GAA
SCHEMBL1486204 0.84 TDP1 (0.42) TDP1CA1CA2CA7GAA
SCHEMBL2280101 0.84 DGAT1 (0.42) TDP1CA1CA2CA7GAA
SCHEMBL14550829 0.84 CA1 (0.39) TDP1CA1CA2CA7GAA
SCHEMBL3180767 0.84 DGAT1 (0.47) TDP1CA1CA2CA7GAA
SCHEMBL4549806 0.84 DGAT1 (0.47) TDP1CA1CA2CA7GAA

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-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TDP1 3315/4885CA1 4815/4885CA2 4743/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TDP1 3315/4885CA1 4815/4885CA2 4743/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TDP1 3152/4885CA1 4760/4885CA2 4699/4885

“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.