SCHEMBL24802697

SCHEMBL24802697

COC(=O)[C@H](CCCNC(=N)NP)NC(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.41
▸ FOLH1 Q04609 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL24802684 0.84 GNPAT (0.39) GNPATFOLH1KMT2APOLBHDAC2
SCHEMBL21339757 0.79 FOLH1 (0.57) GNPATFOLH1SIRT2SIRT1SIRT3
SCHEMBL13674408 0.75 GNPAT (0.56) GNPATFOLH1NOD1
SCHEMBL20581567 0.73 CASP2 (0.50) KMT2APOLBHDAC2NOD1
SCHEMBL20581569 0.73 CASP2 (0.50) KMT2APOLBHDAC2NOD1
SCHEMBL16199279 0.72 KMT2A (0.50) GNPATKMT2APOLB
SCHEMBL21879809 0.72 NPY4R (0.44) FOLH1SIRT2SIRT1SIRT3
SCHEMBL12028772 0.70 GNPAT (0.61) GNPATFOLH1NOD1
SCHEMBL29431224 0.70 KMT2A (0.42) KMT2APOLBHDAC2SIRT2SIRT1
SCHEMBL17304353 0.70 GNPAT (0.61) GNPATFOLH1NOD1

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-20220409594-A1 CD4 MIMIC COMPOUND WITH ANTI-HIV ACTIVITY NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2022-12-29 — — 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-20220409594-A1 CD4 MIMIC COMPOUND WITH ANTI-HIV ACTIVITY CD4, CD81, CD14 GNPAT 3577/4885FOLH1 313/4885KMT2A 1675/4885

“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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