SCHEMBL22044444

SCHEMBL22044444

CCC(=O)c1c(C(=O)C(C)C)nnn1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.32
SLC5A1 P13866 3/20 0.32
SLC5A2 P31639 3/20 0.32
PTGS2 P35354 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
PTGES O14684 1/20 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
SCHEMBL24872432 0.87 NPC1 (0.34) NPC1RECQLSLC5A1SLC5A2PTGS2
SCHEMBL23901255 0.82 NPC1 (0.33) NPC1PTGS2
SCHEMBL22044447 0.80 NPC1 (0.36) NPC1PTGES
SCHEMBL24837000 0.77 NPC1 (0.36) NPC1PTGS2PTGES
SCHEMBL23482676 0.75 NPC1 (0.33) NPC1PTGS2
SCHEMBL10044972 0.73 GRIA1 (0.34) PTGS2GRIA1GRIA2GRIA3GRIA4
SCHEMBL23482739 0.71 NPC1 (0.39) NPC1PTGES
SCHEMBL25943105 0.70 NPC1 (0.31) NPC1PTGES
SCHEMBL24064973 0.69 HPGD (0.36) NPC1
SCHEMBL25062347 0.67 NPC1 (0.35) NPC1PTGES

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 NPC1 2010/4885RECQL 856/4885SLC5A1 4143/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 NPC1 2010/4885RECQL 856/4885SLC5A1 4143/4885

“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.