SCHEMBL3392385

SCHEMBL3392385

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
P2RX7 Q99572 1/20 0.30
PIK3CD O00329 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
SCHEMBL259936 0.80 NPC1 (0.32) NPC1RAB9AMGLLSLC6A2SLC6A4
SCHEMBL8588060 0.80 SLC6A2 (0.31) HTTSLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL594792 0.76 NPC1 (0.33) HTTNPC1ALOX15RAB9AMGLL
SCHEMBL4986617 0.76 NPC1 (0.33) HTTNPC1ALOX15RAB9AMGLL
SCHEMBL2493301 0.76 NPC1 (0.33) HTTNPC1ALOX15RAB9AMGLL
SCHEMBL8718896 0.76 HPGD (0.34)
SCHEMBL5707591 0.75 NPC1 (0.32) HTTNPC1RAB9ASLC6A2SLC6A4
SCHEMBL5707655 0.75 NPC1 (0.32) HTTNPC1RAB9ASLC6A2SLC6A4
SCHEMBL30751007 0.74 SLC6A2 (0.32) HTTNPC1RAB9ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29878392 0.73 SLC6A2 (0.32) HTTSLC6A2SLC6A4SLC6A3PIK3CD

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-2157095-A2 Synthesis of beta-L-2-Deoxy nucleosides Novartis Ag (CH) 2010-02-24 EP claimed
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

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-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides DUT, DERA, RNASEL HTT 1660/4885NPC1 1401/4885ALOX15 741/4885

“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.