SCHEMBL19361328

SCHEMBL19361328

CCC(C)[C@H](N)C(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IARS1 P41252 6/20 0.41
▸ DPP4 P27487 10/20 0.40
▸ DPP8 Q6V1X1 4/20 0.40
▸ DPP9 Q86TI2 4/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ CYP19A1 P11511 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
SCHEMBL23408814 1.00 IARS1 (0.41) IARS1DPP4DPP8DPP9CA12
SCHEMBL196042 0.84 IARS1 (0.43) IARS1DPP4DPP8DPP9DPP7
SCHEMBL19366508 0.84 IARS1 (0.43) IARS1DPP4DPP8DPP9DPP7
SCHEMBL196043 0.84 IARS1 (0.43) IARS1DPP4DPP8DPP9DPP7
SCHEMBL10514022 0.84 SLC1A2 (0.43) IARS1
Hydrochloric Acid SCHEMBL10437071 0.82 IARS1 (0.42) IARS1DPP4DPP8DPP9DPP7
SCHEMBL22392169 0.82 IARS1 (0.38) IARS1DPP4DPP8DPP9DPP7
SCHEMBL19361329 0.82 CA12 (0.42) DPP4CA12CA1CA2CA9
SCHEMBL25039128 0.82 CA12 (0.42) DPP4CA12CA1CA2CA9
SCHEMBL7366588 0.81 ALDH1A1 (0.47) IARS1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 — — US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 — — US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 — — 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-10905683-B2 Compositions and uses of amidine derivatives HRH3, HRH2, HRH1 IARS1 2264/4885DPP4 4123/4885DPP8 3849/4885
US-20170266172-A1 Compositions and Uses of Amidine Derivatives HRH3, HRH2, HRH1 IARS1 2264/4885DPP4 4123/4885DPP8 3849/4885

“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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