SCHEMBL22906173

SCHEMBL22906173

COC(=O)C(C)(C)NC(=O)[C@@H](C)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 5/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 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
SCHEMBL23010396 1.00 DGAT1 (0.35) DGAT1MEN1KMT2ACNR2NPSR1
SCHEMBL13655643 0.81 DGAT1 (0.34) DGAT1CNR2NPSR1
Hydrochloric Acid SCHEMBL7330618 0.79 DPP4 (0.35) DGAT1CNR2NPSR1
SCHEMBL8222052 0.76 POLB (0.46) MEN1KMT2ATP53
SCHEMBL23084588 0.76 POLB (0.46) MEN1KMT2ATP53
SCHEMBL8229637 0.76 POLB (0.46) MEN1KMT2ATP53
SCHEMBL21427835 0.73 DGAT1 (0.38) DGAT1CNR2NPSR1
SCHEMBL12563721 0.72 ELANE (0.43) DGAT1MEN1KMT2ACNR2NPSR1
SCHEMBL6840349 0.70 DGAT1 (0.39) DGAT1
SCHEMBL18312018 0.70 DGAT1 (0.39) DGAT1CNR2NPSR1TP53

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 DGAT1 4414/4885MEN1 3004/4885KMT2A 4197/4885

“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.