SCHEMBL4403101

SCHEMBL4403101

CCOC(=O)c1cc2c(F)c(Cl)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
HRH4 Q9H3N8 2/20 0.54
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 5/20 0.53
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MMP13 P45452 4/20 0.49
MMP2 P08253 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL4404148 0.86 KDM4E (0.56) ALOX15ALDH1A1KDM4ERAB9AHPGD
SCHEMBL30525427 0.86 ALOX15 (0.57) ALOX15HRH4ALDH1A1KDM4ERAB9A
SCHEMBL699665 0.86 ALOX15 (0.57) ALOX15HRH4ALDH1A1KDM4ERAB9A
SCHEMBL7954222 0.86 ALOX15 (0.57) ALOX15ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1504255 0.85 HRH4 (0.57) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30193757 0.84 ALOX15 (0.58) ALOX15ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1883225 0.84 ALOX15 (0.58) ALOX15ALDH1A1KDM4ERAB9AHPGD
SCHEMBL13593173 0.83 HRH4 (0.55) ALOX15HRH4ALDH1A1KDM4EHSD17B10
SCHEMBL22615839 0.81 ALOX15 (0.51) ALOX15ALDH1A1KDM4ERAB9AHPGD
SCHEMBL29425073 0.81 ALOX15 (0.51) ALOX15ALDH1A1KDM4ERAB9AHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO 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-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-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-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
EP-1390029-A4 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2005-11-30 EP disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-6710068-B2 PHENYLSULFONYLINODLES USEFUL FOR THE TREATMENT OF HIV IN HUMANS AND OTHER HOST ANIMALS IDENIX PHARMACEUTICALS, INC. 2004-03-23 US disclosed
EP-1390029-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV Idenix (Cayman) Limited (KY) 2004-02-25 EP disclosed
US-20020193415-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2002-12-19 US disclosed
WO-2002083126-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX (CAYMAN) LIMITED (KY) 2002-10-24 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 (5 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-20070293668-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 ALOX15 3413/4885HRH4 1489/4885ALDH1A1 1178/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 ALOX15 3413/4885HRH4 1489/4885ALDH1A1 1178/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 ALOX15 3413/4885HRH4 1489/4885ALDH1A1 1178/4885
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C ALOX15 3379/4885HRH4 2729/4885ALDH1A1 3509/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C ALOX15 3379/4885HRH4 2729/4885ALDH1A1 3509/4885

“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.