SCHEMBL22906172

SCHEMBL22906172

C[C@@H](O)C(=O)N[C@H]1C[C@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
EPHX2 P34913 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
GRM7 Q14831 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
ATM Q13315 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.31
MMP1 P03956 2/20 0.30
MMP3 P08254 2/20 0.30
MMP7 P09237 2/20 0.30
MMP13 P45452 2/20 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
SCHEMBL23010716 1.00 KDM5A (0.33) KDM5AEPHX2EIF2AK4GRM7SMYD3
SCHEMBL22906171 1.00 KDM5A (0.33) KDM5AEPHX2EIF2AK4GRM7SMYD3
SCHEMBL28351047 0.86 EPHX2 (0.42) KDM5AEPHX2SMYD3ATMKMT2A
SCHEMBL28351045 0.86 EPHX2 (0.42) KDM5AEPHX2SMYD3ATMKMT2A
SCHEMBL12206769 0.84 FASN (0.36) KDM5AEPHX2GRM7SMYD3ATM
SCHEMBL16252563 0.84 FASN (0.36) KDM5AEPHX2GRM7SMYD3ATM
SCHEMBL12207205 0.84 FASN (0.36) KDM5AEPHX2GRM7SMYD3ATM
SCHEMBL10257034 0.79
SCHEMBL24022574 0.78 CHRNB4 (0.43) EPHX2SMYD3MEN1KMT2A
SCHEMBL23010712 0.78 KMT2A (0.34) KDM5AEPHX2SMYD3MEN1KMT2A

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-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 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-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 KDM5A 2876/4885EPHX2 1878/4885EIF2AK4 4211/4885

“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.