SCHEMBL1999770

SCHEMBL1999770

CCOC(=O)c1c(I)c2cc(Cl)ccc2n1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.47
HPGD P15428 2/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 5/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PTGS1 P23219 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ABCB1 P08183 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSF1R P07333 1/20 0.44
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL12228528 0.81 MDM2 (0.47) ELANEALDH1A1CYP1A2HPGDXBP1
SCHEMBL8687719 0.81 ALDH1A1 (0.51) ELANEALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL2005697 0.80 NOD2 (0.53) ELANEALDH1A1CYP1A2HPGDXBP1
SCHEMBL8687352 0.80 ALDH1A1 (0.60) ELANEALDH1A1HPGDKDM4ETSHR
SCHEMBL8687393 0.79 ALDH1A1 (0.49) ELANEALDH1A1CYP1A2HPGDXBP1
SCHEMBL8687079 0.78 ALDH1A1 (0.52) ELANEALDH1A1HPGDKDM4ETSHR
SCHEMBL13102721 0.78 KDM4E (0.42) ELANEALDH1A1CYP1A2HPGDXBP1
SCHEMBL4418372 0.76 NOD2 (0.53) ELANEALDH1A1CYP1A2HPGDSIRT3
SCHEMBL8687419 0.76 PSEN1 (0.52) ELANEALDH1A1HPGDKDM4ETSHR
SCHEMBL12228538 0.75 ALDH1A1 (0.49) ELANEALDH1A1CYP1A2HPGDCYP2C19

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 16 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
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-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 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
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
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
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US 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 ELANE 3735/4885ALDH1A1 3509/4885CYP1A2 1202/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C ELANE 3735/4885ALDH1A1 3509/4885CYP1A2 1202/4885

“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.