Sugi Predict

Sugi Predict / Compounds / SCHEMBL447507

SCHEMBL447507

SCHEMBL447507

Cc1ccc(B(OOC(=O)c2ncccc2O)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.33
▸ KMO O15229 2/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ SMO Q99835 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL1138695 0.96 NPC1 (0.37) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL442638 0.88 NPC1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL29696120 0.88 NPC1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1138210 0.84 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL1138578 0.82 PDK1 (0.35) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1138596 0.81 TLR7 (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1138897 0.76 ALDH1A1 (0.43) NPC1MEN1KMT2AKDM4ETP53
SCHEMBL447506 0.75 KDM4E (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1138515 0.75 NPC1 (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16152204 0.74 MEN1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 — — EP claimed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 — — US claimed
EP-2437854-B1 COMPOSITIONS COMPRISING BORINIC ESTERS COLGATE PALMOLIVE CO (US) 2018-08-08 — — EP disclosed
US-8852559-B2 Borinic compositions COLGATE-PALMOLIVE COMPANY (US) 2014-10-07 — — US disclosed
EP-2437855-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 — — EP disclosed
EP-2437854-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 — — EP disclosed
US-20120064017-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-15 — — US disclosed
US-20120052025-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-01 — — US disclosed
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 — — US disclosed
WO-2010141693-A2 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2010-12-09 — — WO disclosed
WO-2010141694-A2 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2010-12-09 — — WO disclosed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 — — EP disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 — — WO disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 — — US disclosed
WO-2006007384-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-01-19 — — WO disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 — — US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 — — US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 — — WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 — — WO disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 — — 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 (6 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-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 NPC1 1480/4885RAB9A 2635/4885MEN1 1345/4885
US-20120064017-A1 BORINIC COMPOSITIONS BACH1, FHIT, BPNT1 NPC1 2356/4885RAB9A 2104/4885MEN1 1907/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 NPC1 143/4885RAB9A 2857/4885MEN1 894/4885
US-20120052025-A1 BORINIC COMPOSITIONS CCL11, BDKRB2, BTD NPC1 792/4885RAB9A 2053/4885MEN1 780/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA NPC1 335/4885RAB9A 2198/4885MEN1 164/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 NPC1 1724/4885RAB9A 3638/4885MEN1 1740/4885

“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.