SCHEMBL3658766

SCHEMBL3658766

CC(=O)Nc1cc(O)c(C(C)=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PGK1 P00558 1/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 3/20 0.44
ROCK2 O75116 1/20 0.43
PYGL P06737 2/20 0.43
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7317043 0.88 PYGL (0.55) CA1CA2CA9ALDH1A1POLB
SCHEMBL3659229 0.86 CA1 (0.49) CA1CA2CA9ALDH1A1POLB
SCHEMBL11797206 0.85 CA1 (0.53) CA1CA2CA9ALDH1A1POLB
SCHEMBL3998288 0.85 ALDH1A1 (0.56) CA1CA2CA9ALDH1A1POLB
SCHEMBL7076639 0.83 CA1 (0.51) CA1CA2CA9ALDH1A1POLB
SCHEMBL9814177 0.83 POLB (0.53) CA1CA2CA9ALDH1A1POLB
SCHEMBL10821087 0.83 KDM4E (0.54) CA1CA2CA9ALDH1A1POLB
SCHEMBL31398827 0.83 KDM4E (0.54) CA1CA2CA9ALDH1A1POLB
SCHEMBL9821012 0.81 ALDH1A1 (0.44) CA1CA2CA9ALDH1A1NPC1
SCHEMBL1027809 0.80 NPC1 (0.46) ALDH1A1POLBNPC1RAB9AMAPT

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 9 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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP disclosed
CN-101855224-B Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN 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
CN-101855224-A Equilibrative nucleoside transporter ENT 1 inhibitors JANSSEN PHARMACEUTICA NV 2010-10-06 CN 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 (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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 CA1 2059/4885CA2 1416/4885CA9 1351/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CA1 4547/4885CA2 2820/4885CA9 2611/4885

“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.