SCHEMBL13777764

SCHEMBL13777764

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(C[C@H]3CC[C@H](COC(=O)OCC(C)C)CC3)nc21)C(O)CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HINT1 P49773 1/20 0.31

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
SCHEMBL13777763 0.89 ADORA2A (0.34) —
SCHEMBL13777718 0.83 ADORA2A (0.36) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13625768 0.79 ADORA3 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13625769 0.79 GRIN2B (0.40) CYP3A4SMN1; SMN2
SCHEMBL13777716 0.79 ADORA3 (0.32) —
SCHEMBL13819681 0.79 ACACB (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13625863 0.79 ADORA3 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13819686 0.78 MEN1 (0.31) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13626076 0.78 ADORA3 (0.34) MEN1KMT2A
SCHEMBL13819677 0.78 MEN1 (0.33) PDE3AMEN1ALDH1A1LMNACYP3A4

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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B PDE3A 17/4885MEN1 2797/4885ALDH1A1 1012/4885

“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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