SCHEMBL2547048

SCHEMBL2547048

CCCCC(CC)(CC)c1ccccc1P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
PTK2B Q14289 2/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
FDPS P14324 2/20 0.37
CETP P11597 4/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ALPG P10696 1/20 0.34

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
SCHEMBL18334416 0.77 PTK2B (0.38) NPC1POLBPTK2BHIF1ATSHR
SCHEMBL18334414 0.76 NPC1 (0.40) NPC1POLBPTK2BTSHRFDPS
SCHEMBL981692 0.76 TSHR (0.45) NPC1POLBHIF1ATSHRALDH1A1
SCHEMBL28094950 0.75 INPPL1 (0.39) CETPALDH1A1
SCHEMBL982245 0.73 TSHR (0.45) NPC1POLBHIF1ATSHRALDH1A1
SCHEMBL816996 0.73 ESR1 (0.32)
SCHEMBL984264 0.71 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL8555216 0.71 PIN1 (0.41) NPC1POLBPTK2BTSHRALDH1A1
SCHEMBL982025 0.70 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL982739 0.70 ALDH1A1 (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
EP-2256124-A1 Phospho-indoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2010-12-01 EP disclosed
EP-1961757-B1 Phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
EP-1799696-B1 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-11-12 EP disclosed
EP-1961757-A1 Phosphoindoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2008-08-27 EP disclosed
EP-1799696-A2 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2007-06-27 EP disclosed
WO-2006054182-A9 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX CAYMAN LTD 2006-08-17 WO disclosed
WO-2006054182-A2 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
US-20060074054-A1 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS LLC 2006-04-06 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 (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-20060074054-A1 Phospho-indoles as HIV inhibitors IDO1, PPP5C, INMT NPC1 3653/4885POLB 712/4885PTK2B 527/4885
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT NPC1 3653/4885POLB 712/4885PTK2B 527/4885

“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.