SCHEMBL1858130

SCHEMBL1858130

NC(CN(CC(F)(F)F)C(=O)O)C(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.42
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL1861190 0.79 L3MBTL1 (0.46) ANPEPERAP2L3MBTL1TDP1HPGD
SCHEMBL1860829 0.71 HPGD (0.42) ANPEPL3MBTL1TDP1HPGD
SCHEMBL10890023 0.70 EPHX1 (0.45) EPHX1ANPEPERAP2TDP1HPGD
SCHEMBL1859118 0.66 EPHX2 (0.46) EPHX1ANPEPERAP2TDP1HPGD
SCHEMBL1861530 0.66 EPHX2 (0.46) EPHX1ANPEPERAP2TDP1HPGD
SCHEMBL10871667 0.65 EPHX2 (0.45) EPHX1ANPEPERAP2TDP1HPGD
SCHEMBL3289204 0.64 DPP4 (0.49) EPHX1ANPEPERAP2TDP1TAAR1
SCHEMBL10716724 0.64 DPP4 (0.49) EPHX1ANPEPERAP2TDP1TAAR1
SCHEMBL1529636 0.64 EPHX1 (0.46) EPHX1ANPEPHPGDTAAR1
SCHEMBL11998010 0.64 SLC15A1 (0.44) EPHX1ANPEPERAP2TDP1TAAR1

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE EPHX1 1377/4885ANPEP 12/4885ERAP2 35/4885

“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.