SCHEMBL3728331

SCHEMBL3728331

CC(=O)c1cc(C)cc(NC(=O)OC(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
LCK P06239 6/20 0.38
HPGD P15428 2/20 0.38
BRD9 Q9H8M2 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MIF P14174 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
SCHEMBL849561 0.83 LCK (0.46) LCKHPGDBRD9CYP1A2CYP2C9
SCHEMBL6772319 0.79 HSD17B10 (0.44) HPGDHSD17B10ALOX15MAPK1MEN1
SCHEMBL29324602 0.78 RXFP1 (0.52) RXFP1BRD9HSD17B10ALOX15MAPK1
SCHEMBL26761214 0.78 MEN1 (0.40) LCKHPGDHSD17B10MAPK1CYP1A2
SCHEMBL24166926 0.75 ALDH1A1 (0.43) LCKHSD17B10ALOX15MAPK1MEN1
SCHEMBL2031546 0.75 KCNMA1 (0.54) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4568018 0.73 NLRP3 (0.55) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL21391624 0.73 HPGD (0.60) HPGDBRD9HSD17B10CYP17A1CYP1A2
SCHEMBL27852761 0.73 MEN1 (0.56) HPGDMEN1KMT2AHTTCA12
SCHEMBL29454279 0.73 LCK (0.42) RXFP1LCKHPGDBRD9CYP1A2

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 3 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

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 RXFP1 1380/4885LCK 4628/4885HPGD 969/4885

“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.