SCHEMBL12620176

SCHEMBL12620176

COc1ccc(B(O)O)c(C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ENPP2 Q13822 2/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL29951546 0.85 SMN1; SMN2 (0.62) ALDH1A1HPGDSMN1; SMN2KDM4ECYP1A2
SCHEMBL14645352 0.85 SMN1; SMN2 (0.62) ALDH1A1HPGDSMN1; SMN2KDM4ECYP1A2
SCHEMBL29853691 0.84 KDM4E (0.63) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL26768714 0.84 KDM4E (0.63) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL13094612 0.80 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL4688965 0.78 KDM4E (0.45) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL29581343 0.77 MAPT (0.68) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL29445806 0.77 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL312754 0.77 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4MAPK1SMN1; SMN2
SCHEMBL885028 0.77 MAPT (0.68) ALDH1A1HPGDCYP3A4MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
WO-2010003658-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-01-14 WO disclosed
US-7572927-B2 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2009-08-11 US disclosed
US-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2008-08-14 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 (3 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-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound DDT, OXER1, OSTC ALDH1A1 1259/4885HPGD 4181/4885CYP3A4 211/4885
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI ALDH1A1 1275/4885HPGD 2278/4885CYP3A4 91/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI ALDH1A1 1275/4885HPGD 2278/4885CYP3A4 91/4885

“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.