SCHEMBL3657487

SCHEMBL3657487

CC(=O)Nc1cc(OC(C)=O)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 5/20 0.54
GLA P06280 3/20 0.54
HPGD P15428 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
LDLR P01130 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL1285510 0.86 KDM4E (0.54) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL359701 0.84 MAPT (0.56) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL693859 0.84 ACHE (0.56) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL6018432 0.83 KDM4E (0.57) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL27451728 0.83 KDM4E (0.54) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL10750857 0.82 ALDH1A1 (0.50) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL23417965 0.81 KDM4E (0.52) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL21464391 0.80 KDM4E (0.61) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3862443 0.79 NPC1 (0.61) ACHEALDH1A1KDM4EGAAGLA
SCHEMBL4216870 0.79 HPGD (0.54) ALDH1A1GAAHPGDLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 ACHE 4760/4885ALDH1A1 516/4885KDM4E 4733/4885

“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.