SCHEMBL2312263

SCHEMBL2312263

Cc1ccccc1C(=O)Nc1ccc2c(c1)B(O)OC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
KCNK3 O14649 3/20 0.48
KCNK9 Q9NPC2 3/20 0.48
DHODH Q02127 1/20 0.48
POLB P06746 1/20 0.45
TYK2 P29597 1/20 0.45
F2R P25116 2/20 0.44
FFAR1 O14842 1/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 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
SCHEMBL2316708 0.87 RAB9A (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2307990 0.87 MEN1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2313062 0.87 NPC1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2311455 0.87 MEN1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2311049 0.87 PKM (0.49) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL12879233 0.85 GPR27 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2310529 0.85 KCNK3 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2309884 0.85 MEN1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2308403 0.85 NPC1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2313973 0.84 PTGS1 (0.56) KCNK3KCNK9F2R

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 11 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-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 SMN1; SMN2 3037/4885ALDH1A1 4684/4885NPC1 216/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP SMN1; SMN2 3037/4885ALDH1A1 4684/4885NPC1 216/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP SMN1; SMN2 3037/4885ALDH1A1 4684/4885NPC1 216/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP SMN1; SMN2 3037/4885ALDH1A1 4684/4885NPC1 216/4885

“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.