SCHEMBL17324230

SCHEMBL17324230

CC(C)CSCC(N)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 0.37
▸ METAP1 P53582 8/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ NOS2 P35228 3/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ ARG1 P05089 1/20 0.33
▸ ARG2 P78540 1/20 0.33
▸ BHMT Q93088 1/20 0.32
▸ BHMT2 Q9H2M3 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 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
SCHEMBL26897366 0.83 CTSC (0.34) METAP2METAP1SLC7A5NOS2NOS1
SCHEMBL2128359 0.80 SLC7A5 (0.54) METAP2METAP1SLC7A5NOS2NOS1
SCHEMBL25471938 0.80 METAP2 (0.38) METAP2METAP1SLC7A5NOS2NOS1
SCHEMBL23085771 0.80 SLC7A5 (0.54) METAP2METAP1SLC7A5NOS2NOS1
SCHEMBL20792012 0.79 GABRP (0.36) SLC7A5BHMTBHMT2SLC1A3SLC1A2
SCHEMBL18822659 0.79 METAP2 (0.41) METAP2METAP1NOS2NOS1NOS3
SCHEMBL18213758 0.79 NOS2 (0.32) SLC7A5NOS2NOS1NOS3ARG1
SCHEMBL15744932 0.77 GABRP (0.34) SLC7A5BHMTBHMT2SLC1A3SLC1A2
SCHEMBL24701919 0.77 METAP2 (0.40) METAP2METAP1SLC7A5NOS2NOS1
SCHEMBL24256521 0.76 METAP2 (0.36) METAP2METAP1SLC7A5SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 — — US disclosed
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 — — US disclosed
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 — — US disclosed
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 — — US disclosed
US-20150352219-A1 CONJUGATE COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-12-10 — — 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 (2 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-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES SGMS1, ENPP2, SGMS2 METAP2 156/4885METAP1 152/4885SLC7A5 183/4885
US-20150352219-A1 CONJUGATE COMPOUNDS SGMS1, SGMS2, ENPP2 METAP2 634/4885METAP1 538/4885SLC7A5 706/4885

“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.

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