SCHEMBL2707949

SCHEMBL2707949

CCOC(=O)[C@@H](C)NCCC[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SYK P43405 1/20 0.39
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NTSR1 P30989 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL19339724 1.00 TPSAB1 (0.44) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL4759604 0.85 SYK (0.41) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL9977210 0.84 ITGA4 (0.40) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL17656214 0.83 MEN1 (0.38) TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL2706217 0.83 MEN1 (0.38) TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL27963815 0.81 CTSK (0.50) L3MBTL1SYKMAPT
SCHEMBL23760112 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL23760082 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL17369164 0.81 SYK (0.46) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL17369165 0.80 TPSAB1 (0.45) TPSAB1TPSD1TPSG1POLBL3MBTL1

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 TPSAB1 4100/4885TPSD1 4219/4885TPSG1 3341/4885

“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.