SCHEMBL2000184

SCHEMBL2000184

Cc1cc(Br)cc(C=CC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
KDM4E B2RXH2 1/20 0.39
ENPP2 Q13822 1/20 0.35
FDPS P14324 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
S100A4 P26447 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL2000183 1.00 AKR1C3 (0.49) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL501534 0.86 KDM4E (0.45) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL24668284 0.86 AKR1C3 (0.44) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL501533 0.86 KDM4E (0.45) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL501458 0.78 AKR1C3 (0.41) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL501457 0.78 AKR1C3 (0.41) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL2005468 0.77 KDM4E (0.39) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL2005470 0.77 KDM4E (0.39) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL17872932 0.76 KDM4E (0.41) AKR1C3KDM4EENPP2FDPSALDH1A1
SCHEMBL17872935 0.76 KDM4E (0.41) AKR1C3KDM4EENPP2FDPSALDH1A1

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 8 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
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

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 AKR1C3 3866/4885KDM4E 1817/4885ENPP2 1877/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C AKR1C3 3866/4885KDM4E 1817/4885ENPP2 1877/4885

“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.