SCHEMBL17899474

SCHEMBL17899474

CC1CCOP(=O)(N(CCCl)CCCl)N1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CRYZ Q08257 1/20 0.50

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
4-Hydroxycyclophosphamide SCHEMBL17737224 0.82 NPSR1 (0.54) NPSR1KDM4EALOX15MAPK1CRYZ
4-Hydroxycyclophosphamide SCHEMBL406857 0.82 NPSR1 (0.54) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL12451557 0.80 NPSR1 (0.49) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL17897696 0.80 NPSR1 (0.49) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL10412920 0.80 NPSR1 (0.53) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL17635575 0.78 NPSR1 (0.50) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL10413698 0.78 NPSR1 (0.47) NPSR1KDM4EALOX15MAPK1CRYZ
Perfosfamide SCHEMBL1650261 0.77 NPSR1 (0.49) NPSR1KDM4EALOX15MAPK1CRYZ
Perfosfamide SCHEMBL4652 0.77 NPSR1 (0.49) NPSR1KDM4EALOX15MAPK1CRYZ
SCHEMBL17897647 0.77 NPSR1 (0.46) NPSR1KDM4EALOX15MAPK1CRYZ

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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP NPSR1 1622/4885KDM4E 1194/4885ALOX15 2315/4885

“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.