SCHEMBL3661787

SCHEMBL3661787

COC(=O)c1cc(Cl)c(OC(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
RORC P51449 1/20 0.46
GAA P10253 3/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ULK1 O75385 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL12316419 0.85 HTT (0.53) HTTRORCGAACA12CA1
SCHEMBL2793251 0.83 GAA (0.58) HTTGAACA12CA1CA2
SCHEMBL19554257 0.83 GAA (0.59) HTTRORCGAAULK1TSHR
SCHEMBL12316313 0.83 IRAK4 (0.50) HTTRORCGAACA12CA1
SCHEMBL8066375 0.80 RORC (0.44) HTTRORCGAAULK1SMN1; SMN2
SCHEMBL7415528 0.79 CA12 (0.55) HTTGAACA12CA1CA2
SCHEMBL3929329 0.78 HTT (0.37) HTTGAACA12CA1CA2
SCHEMBL30463099 0.78 CA12 (0.53) GAACA12CA1CA2CA7
SCHEMBL2726967 0.78 CA12 (0.53) GAACA12CA1CA2CA7
SCHEMBL13846657 0.78 RORC (0.41) HTTRORCGAAIDO1TDO2

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 HTT 719/4885RORC 2787/4885GAA 559/4885

“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.