SCHEMBL22356129

SCHEMBL22356129

COC(=O)[C@@H](OC(=O)OCN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.41
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPARA Q07869 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL22355962 1.00 KMT2A (0.50) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL7701655 0.87 KMT2A (0.60) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL7704690 0.83 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL22355972 0.80 KMT2A (0.56) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL22356140 0.80 KMT2A (0.56) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL7701652 0.80 KMT2A (0.60) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL7512529 0.78 ALDH1A1 (0.64) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL7512534 0.78 ALDH1A1 (0.64) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL8997426 0.78 ALDH1A1 (0.64) KMT2AMEN1KLK7ALDH1A1CYP3A4
SCHEMBL18206262 0.78 KMT2A (0.50) KMT2AMEN1KLK7ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug SHIONOGI & CO., LTD. (JP) 2021-06-22 US disclosed
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG SHIONOGI & CO., LTD. (JP) 2020-08-20 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-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG RNASEH1, RNASEL, RNPEP KMT2A 1328/4885MEN1 4433/4885KLK7 4294/4885
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug RNASEH1, RNPEP, RNASEL KMT2A 1389/4885MEN1 4474/4885KLK7 4194/4885

“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.