SCHEMBL4171360

SCHEMBL4171360

CCC(=O)OC1(CCl)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
CYP19A1 P11511 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 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
SCHEMBL14649899 0.84 KDM4E (0.33) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL13925835 0.84 KDM4E (0.33) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL12936738 0.84 KDM4E (0.33) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL2611791 0.82 OPRM1 (0.33) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL7080628 0.81 USP2 (0.37) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL28668092 0.81 ALDH1A1 (0.32) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL17791736 0.79 CYP2C19 (0.31)
SCHEMBL28810184 0.78 NAAA (0.36) KDM4E
SCHEMBL17791738 0.78 CYP2C19 (0.34)
SCHEMBL17791675 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 KDM4E 1353/4885CYP19A1 1085/4885OPRM1 5/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 KDM4E 1311/4885CYP19A1 1001/4885OPRM1 3/4885

“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.