SCHEMBL594792

SCHEMBL594792

Cc1ccccc1C(=O)C(O)[C@H]1OC(O)(Cl)C[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MGLL Q99685 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
P2RX7 Q99572 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4986617 1.00 NPC1 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL2493301 1.00 NPC1 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL3390440 0.87 ALDH1A1 (0.34) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL3497068 0.84 CES2 (0.34) NPC1RAB9AMGLLALDH1A1P2RX7
SCHEMBL6842407 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL5707587 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL2907033 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL8960840 0.79 SLC6A2 (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL5044476 0.77 SLC6A2 (0.33) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL3395341 0.77 HTT (0.33) NPC1RAB9AMGLLSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639121-A4 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-04-16 EP claimed
EP-1639121-A2 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES Idenix (Cayman) Limited (KY) 2006-03-29 EP claimed
US-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides NOVARTIS AG (CH) 2005-03-17 US claimed
WO-2005003374-A2 SYNTHESIS OF β-L-2-DEOXY NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2005-01-13 WO claimed
US-9029345-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-12 US disclosed
US-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 US disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 US disclosed
US-8114847-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-14 US disclosed
US-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J 2010-05-06 US disclosed
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY 2009-02-19 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 (3 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-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION RPA1, RPA3, PCNA NPC1 1593/4885RAB9A 2705/4885MGLL 2554/4885
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION REV1, PCNA, DNA2 NPC1 2427/4885RAB9A 1981/4885MGLL 2507/4885
US-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides DUT, DERA, RNASEL NPC1 1401/4885RAB9A 2712/4885MGLL 1365/4885

“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.