SCHEMBL18845554

SCHEMBL18845554

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 5/20 0.47
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KLK7 P49862 1/20 0.44
RIPK1 Q13546 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL24838705 0.97 UCHL1 (0.44) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL18815574 0.88 ALDH1A1 (0.52) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL18815575 0.88 ALDH1A1 (0.52) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL7605071 0.88 USP30 (0.52) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL15854366 0.88 NPC1 (0.51) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL17396032 0.88 NPC1 (0.51) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL15848455 0.87 KLK7 (0.53) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL4955279 0.87 KLK7 (0.53) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL15848456 0.87 KLK7 (0.53) UCHL1EPHX2NPC1MEN1KMT2A
SCHEMBL564404 0.85 NPC1 (0.46) UCHL1EPHX2NPC1MEN1KMT2A

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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP UCHL1 3021/4885EPHX2 3717/4885NPC1 1111/4885

“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.