SCHEMBL2059035

SCHEMBL2059035

COCN(COC)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 9/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6982347 0.86 PYCR1 (0.42) PYCR1KDM4EALDH1A1MAOBTDP1
SCHEMBL29083510 0.79 PYCR1 (0.64) PYCR1KDM4EALDH1A1MAOBTAAR1
SCHEMBL6644202 0.78 TSHR (0.50) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL3620117 0.76 KDM4E (0.56) PYCR1KDM4EALDH1A1HRH3MEN1
SCHEMBL10187442 0.76 PYCR1 (0.69) PYCR1KDM4EALDH1A1MAOBTDP1
SCHEMBL69821 0.76 PYCR1 (0.69) PYCR1KDM4EALDH1A1MAOBTAAR1
SCHEMBL3029785 0.74 TSHR (0.50) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL19700321 0.71 PYCR1 (0.55) PYCR1KDM4EALDH1A1MAOBTDP1
SCHEMBL3618020 0.71 MEN1 (0.40) PYCR1KDM4EALDH1A1MAOBTDP1
SCHEMBL1239426 0.71 KDM4E (0.59) PYCR1KDM4EALDH1A1MAOBTDP1

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
US-7968752-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20090239824-A1 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
EP-1638578-A4 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2009-04-01 EP disclosed
US-7465836-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1638578-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2006-03-29 EP disclosed
WO-2005013892-A9 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2005-04-14 WO disclosed
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, LLC 2005-03-10 US disclosed
WO-2005013892-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2005-02-17 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-20090239824-A1 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE BTD, GAA, GBA3 PYCR1 3454/4885KDM4E 2666/4885ALDH1A1 1632/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 PYCR1 3454/4885KDM4E 2666/4885ALDH1A1 1632/4885

“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.