SCHEMBL22901392

SCHEMBL22901392

CC(O)NC1CCCCCCC(S)C(S)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 5/20 0.33
SIGMAR1 Q99720 2/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL11457855 0.85 KDM4E (0.44) KDM4EATMGAAL3MBTL1EPHX1
SCHEMBL211622 0.85 KDM4E (0.44) KDM4EATMGAAL3MBTL1EPHX1
SCHEMBL1153410 0.85 KDM4E (0.44) KDM4EATMGAAL3MBTL1EPHX1
SCHEMBL11461186 0.85 KDM4E (0.44) KDM4EATMGAAL3MBTL1EPHX1
Hydrochloric Acid SCHEMBL11271861 0.83 KDM4E (0.43) KDM4EATMGAAL3MBTL1EPHX1
SCHEMBL5226180 0.83
SCHEMBL6026665 0.79
SCHEMBL6026521 0.78
Bromide SCHEMBL2833944 0.76
SCHEMBL21217336 0.70 EPHX1 (0.39) EPHX1ALDH1A1MEN1RECQLKMT2A

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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs SORRENTO THERAPEUTICS, INC. (US) 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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs ERBB2, ABCG2, DYNLL2 KDM4E 1682/4885ATM 2378/4885GAA 1258/4885

“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.