SCHEMBL18088370

SCHEMBL18088370

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CAPN1 P07384 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ GLP1R P43220 7/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CXCR3 P49682 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL14950816 0.99 CA1 (0.44) CA1CA2CTSSCTSKCAPN1
SCHEMBL21361102 0.98 CA1 (0.42) CA1CA2CTSSCTSKCAPN1
SCHEMBL14950994 0.97 CA1 (0.43) CA1CA2CTSSCTSKCAPN1
SCHEMBL14950932 0.97 CA1 (0.43) CA1CA2CTSSCTSKCAPN1
SCHEMBL23475889 0.97 CTSK (0.44) CA1CA2CTSSCTSKCAPN1
SCHEMBL16853378 0.97 CTSK (0.44) CA1CA2CTSSCTSKCAPN1
SCHEMBL28893925 0.97 CTSK (0.44) CA1CA2CTSSCTSKCAPN1
SCHEMBL23475976 0.97 CTSK (0.44) CA1CA2CTSSCTSKCAPN1
SCHEMBL18088380 0.90 CA1 (0.39) CA1CA2CTSSCTSKCAPN1
SCHEMBL19543629 0.88 CTSS (0.53) CA1CA2CTSSCTSKCAPN1

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-10413594-B2 Conjugates of somatostatin analogues PROLYNX LLC (US) 2019-09-17 — — US disclosed
US-20160271227-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES PROLYNX LLC (US) 2016-09-22 — — 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 (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-20160271227-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES SSTR4, SSTR3, SSTR2 CA1 780/4885CA2 2328/4885CTSS 1191/4885
US-10413594-B2 Conjugates of somatostatin analogues SSTR4, SSTR3, SSTR2 CA1 780/4885CA2 2328/4885CTSS 1191/4885

“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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