SCHEMBL13823458

SCHEMBL13823458

C[C@@H](O)[C@@H](C=O)NC(=O)[C@@H]1CCCN1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CTSK P43235 6/20 0.35
▸ TSHR P16473 1/20 0.35
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BRAF P15056 2/20 0.31
▸ CFD P00746 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PTGER2 P43116 1/20 0.30

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
SCHEMBL12733449 0.81 CYP3A4 (0.50) CYP3A4CYP2D6TSHRWNT1GSK3B
SCHEMBL9911458 0.81 CYP3A4 (0.50) CYP3A4CYP2D6TSHRWNT1GSK3B
SCHEMBL12304484 0.81 CYP3A4 (0.50) CYP3A4CYP2D6TSHRWNT1GSK3B
SCHEMBL20341256 0.81 CTSK (0.46) CYP3A4CYP2D6CTSKHDAC1PTGER4
SCHEMBL19661451 0.81 CTSK (0.46) CYP3A4CYP2D6CTSKHDAC1PTGER4
SCHEMBL17793277 0.77 CTSK (0.41) CYP3A4CYP2D6CTSK
SCHEMBL7465935 0.77 CTSK (0.41) CYP3A4CYP2D6CTSK
SCHEMBL8073741 0.77 CYP3A4 (0.42) CYP3A4CYP2D6
SCHEMBL2604731 0.76 CYP3A4 (0.47) CYP3A4CYP2D6TSHRWNT1GSK3B
SCHEMBL12733399 0.76 CYP3A4 (0.47) CYP3A4CYP2D6TSHRWNT1GSK3B

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-20090162400-A1 Compositions of influenza viral proteins and methods of use thereof VAXINNATE CORPORATION 2009-06-25 — — 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-20090162400-A1 Compositions of influenza viral proteins and methods of use thereof LY96, CD74, HAVCR2 CYP3A4 4656/4885CYP2D6 4800/4885CTSK 2300/4885

“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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