SCHEMBL1138210

SCHEMBL1138210

CCOC(=O)c1cccnc1C(=O)OOB(c1ccc(C)c(Cl)c1)c1ccc(C)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
METTL3 Q86U44 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 4/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.37
TP53 P04637 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
SCHEMBL447507 0.84 NPC1 (0.38) NPC1RAB9ALMNAMAPK1KMT2A
SCHEMBL1138695 0.80 NPC1 (0.37) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL29870373 0.75 BRD4 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL1737254 0.75 BRD4 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL1138897 0.74 ALDH1A1 (0.43) ALDH1A1NPC1SMN1; SMN2HTTTSHR
SCHEMBL29696120 0.72 NPC1 (0.39) NPC1RAB9ALMNAMAPK1KMT2A
SCHEMBL1138636 0.71 KDM4E (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL447506 0.71 KDM4E (0.42) ALDH1A1NPC1RAB9AHTTL3MBTL1
SCHEMBL16152204 0.70 MEN1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL11830768 0.70 DHODH (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 5 patents. 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 disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 ALDH1A1 3239/4885NPC1 143/4885RAB9A 2857/4885

“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.