SCHEMBL2706217

SCHEMBL2706217

CCOC(=O)[C@@H](C)NCCC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL17656214 1.00 MEN1 (0.38) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL19339724 0.83 TPSAB1 (0.44) TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL2707949 0.83 TPSAB1 (0.44) TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL9977214 0.80 CA12 (0.32) MEN1GAAKMT2ACA12CA1
SCHEMBL9977210 0.78 ITGA4 (0.40) SMN1; SMN2METAP2
SCHEMBL27963857 0.77 CTSK (0.47) MEN1GAAKMT2ACYP1A2CYP2C9
SCHEMBL8086630 0.76 HDAC6 (0.38) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL3621906 0.76 HDAC6 (0.38) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL3619491 0.76 HDAC6 (0.38) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL20743469 0.74 MEN1 (0.38) MEN1GAAKMT2ATPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885GAA 151/4885KMT2A 3803/4885

“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.