SCHEMBL444100

SCHEMBL444100

Cc1cc(Cl)ccc1B(OC(=O)c1ncccc1O)c1ccc(Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
GRM5 P41594 1/20 0.36
GRM4 Q14833 1/20 0.35
HTT P42858 1/20 0.35
CYP11B2 P19099 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
FTO Q9C0B1 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1138596 0.88 TLR7 (0.41) TLR7PDE4BPDE4DRAB9AALDH1A1
SCHEMBL29696120 0.81 NPC1 (0.39) TLR7PDE4BPDE4DRAB9AKDM4E
SCHEMBL442638 0.81 NPC1 (0.39) TLR7PDE4BPDE4DRAB9AKDM4E
SCHEMBL1138595 0.76 MRGPRX4 (0.40) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL447507 0.71 NPC1 (0.38) TLR7RAB9AKDM4ELMNANPC1
SCHEMBL25247534 0.68 TLR7 (0.38) TLR7RAB9ALMNANPC1KMT2A
SCHEMBL1138695 0.68 NPC1 (0.37) TLR7RAB9AALDH1A1KDM4ELMNA
SCHEMBL108876 0.67 L3MBTL1 (0.62) TLR7ALDH1A1KDM4ELMNAHTT
SCHEMBL29396522 0.67 BRD4 (0.61) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL1240286 0.67 BRD4 (0.61) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO 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
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-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 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 (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-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use CUTA, BROX, BTD TLR7 161/4885PDE4B 1729/4885PDE4D 2161/4885
US-20120064017-A1 BORINIC COMPOSITIONS BACH1, FHIT, BPNT1 TLR7 1475/4885PDE4B 4338/4885PDE4D 4710/4885
US-20120052025-A1 BORINIC COMPOSITIONS CCL11, BDKRB2, BTD TLR7 516/4885PDE4B 878/4885PDE4D 1372/4885

“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.