SCHEMBL2005231

SCHEMBL2005231

N#CC(Cl)Cl.N#CC(Cl)Cl.[Pd]

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.90
CYP3A4 P08684 1/20 0.90
ALOX15 P16050 1/20 0.90
HIF1A Q16665 1/20 0.90
TSHR P16473 2/20 0.36

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
SCHEMBL28133271 1.00
SCHEMBL1180554 0.95
Acetonitrile SCHEMBL8836994 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4ALOX15HIF1ATSHR
Methyl Alcohol SCHEMBL28639463 0.82
SCHEMBL8546243 0.73 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15HIF1ATSHR
SCHEMBL11340227 0.70
SCHEMBL10635939 0.67
SCHEMBL3150854 0.67
SCHEMBL7524186 0.67
SCHEMBL2002136 0.67

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-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
WO-2009124175-A1 FORMULATIONS COMPRISING A PHOSPHOINDOLE COMPOUND AND ONE OR MORE SECOND ACTIVE AGENTS IDENIX PHARMACEUTICALS, INC. (US) 2009-10-08 WO disclosed
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed
US-6344242-B1 METAL ALKOXIDE MIXED WITH SOLVENT, ACID, CHLORIDE SALT OR ACID CHLORIDE, CATALYTIC METAL SALT, NO PRIOR ETCHING OR CONDITIONING NEEDED MCDONNELL DOUGLAS CORPORATION 2002-02-05 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C ALDH1A1 3509/4885CYP3A4 287/4885ALOX15 3379/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C ALDH1A1 3509/4885CYP3A4 287/4885ALOX15 3379/4885

“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.