SCHEMBL2310642

SCHEMBL2310642

CC1(C)OB(O)c2cc(NC(=O)c3c(F)cccc3Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
TLR7 Q9NYK1 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
MAOB P27338 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TLR8 Q9NR97 3/20 0.44
IL2 P60568 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2313316 0.92 JAK3 (0.47) RAB9ANPC1SMN1; SMN2JAK2JAK1
SCHEMBL2308410 0.92 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TLR7JAK2
SCHEMBL2308307 0.88 JAK3 (0.41) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL2309312 0.85 JAK3 (0.52) RAB9ANPC1SMN1; SMN2TLR7IL2
SCHEMBL2312121 0.85 JAK3 (0.43) RAB9ANPC1SMN1; SMN2MAPTJAK3
SCHEMBL2315100 0.84 MAPT (0.39) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL2308320 0.84 MAPT (0.39) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL2313226 0.83 PTPRC (0.44) RAB9ANPC1SMN1; SMN2JAK2TYK2
SCHEMBL2313546 0.83 HTT (0.46) SMN1; SMN2GAAMAPTNPSR1L3MBTL1
SCHEMBL2309398 0.83 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 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 (4 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-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885

“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.