SCHEMBL29326514

SCHEMBL29326514

COC(=O)[C@H]1C[C@@H]1c1cccc(-n2c(=O)[nH]c3cc(-c4ccccc4Cl)ccc3c2=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.41
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTK Q06187 9/20 0.38
JAK2 O60674 8/20 0.38
TP53 P04637 1/20 0.36
PAK1 Q13153 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL27378764 0.90 TNKS2 (0.39) TNKS2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL29326549 0.85 HSD17B10 (0.38) ALDH1A1KMT2AMEN1RAB9AHSD17B10
SCHEMBL29326563 0.80 TNKS2 (0.56) TNKS2BTKJAK2TP53PAK1
SCHEMBL29326565 0.79 TNKS2 (0.50) TNKS2ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL29326500 0.76 TNKS2 (0.60) TNKS2TP53PAK1KDM4EHTT
SCHEMBL27378784 0.75 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1RAB9AHSD17B10
SCHEMBL29326524 0.73 TNKS2 (0.44) TNKS2TP53PAK1KDM4EHTT
SCHEMBL29326509 0.73 TNKS2 (0.53) TNKS2ALDH1A1TP53PAK1KDM4E
SCHEMBL29326363 0.73 TNKS2 (0.50) TNKS2TDP1TP53KDM4EHTT
SCHEMBL30702006 0.72 TNKS2 (0.53) TNKS2TP53PAK1KDM4EHTT

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TNKS2 619/4885ALDH1A1 3259/4885KMT2A 3085/4885

“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.