SCHEMBL18822659

SCHEMBL18822659

CCCSCC(N)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 9/20 0.41
▸ METAP1 P53582 7/20 0.41
▸ ARG1 P05089 1/20 0.39
▸ ARG2 P78540 1/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.35
▸ BHMT Q93088 2/20 0.34
▸ BHMT2 Q9H2M3 1/20 0.34
▸ 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
SCHEMBL26897366 0.83 CTSC (0.34) METAP2METAP1ARG1ARG2NOS2
SCHEMBL1157636 0.79 ARG1 (0.60) METAP2METAP1ARG1ARG2NOS2
SCHEMBL8084363 0.79 ARG1 (0.60) METAP2METAP1ARG1ARG2NOS2
SCHEMBL1157633 0.79 ARG1 (0.60) METAP2METAP1ARG1ARG2NOS2
SCHEMBL13659832 0.79 NOS2 (0.44) METAP2METAP1ARG1ARG2NOS2
SCHEMBL8024940 0.79 NOS2 (0.44) METAP2METAP1ARG1ARG2NOS2
SCHEMBL17324230 0.79 METAP2 (0.37) METAP2METAP1ARG1ARG2NOS2
SCHEMBL28472089 0.78 ARG1 (0.58) METAP2METAP1ARG1ARG2NOS2
SCHEMBL8024937 0.78 ARG1 (0.40) METAP2METAP1ARG1ARG2NOS2
SCHEMBL20792012 0.76 GABRP (0.36) BHMTBHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES VICTORIA LINK LIMITED (NZ) 2017-05-04 — — 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-20170119875-A1 AMINO SPHINGOGLYCOLIPID ANALOGUES SGMS1, ENPP2, SGMS2 METAP2 156/4885METAP1 152/4885ARG1 852/4885

“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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