SCHEMBL16185848

SCHEMBL16185848

CC(=O)[C@@H]1CCCN1C(=O)CCCOC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.40
▸ ACE P12821 5/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ REN P00797 1/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL26695805 0.78 ACE (0.45) SPHK1ACEDPP4
SCHEMBL15305209 0.78 ACE (0.54) RAB9AACEACE2REN
SCHEMBL17378268 0.77 ACE (0.47) RAB9AACEACE2REN
SCHEMBL26724818 0.77 ACE (0.47) RAB9AACEACE2REN
SCHEMBL19658296 0.77 ACE (0.44) SPHK1ACE
SCHEMBL15305180 0.77 DPP4 (0.50) SPHK1DPP4
SCHEMBL21099985 0.74 ACE (0.45) ACE
SCHEMBL20611455 0.73 ACE (0.41) SPHK1ACE
SCHEMBL26724600 0.73 ACE (0.41) ACEACE2REN
SCHEMBL15791258 0.73 SMN1; SMN2 (0.49) RAB9AACEACE2REN

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-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 — — 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-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 RAB9A 3992/4885SPHK1 4547/4885ACE 29/4885

“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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