SCHEMBL2311049

SCHEMBL2311049

CC1(C)OB(O)c2cc(NC(=O)c3ccccc3Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.49
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
SMO Q99835 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
F2R P25116 1/20 0.46
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2309398 0.91 NPC1 (0.52) PKMMAPTKCNK3KCNK9SMO
SCHEMBL2312121 0.89 JAK3 (0.43) PKMMAPTKCNK3KCNK9SMO
SCHEMBL2310600 0.87 RAB9A (0.52) MAPTRAB9ANPC1TP53KMT2A
SCHEMBL2313316 0.87 JAK3 (0.47) RAB9ANPC1KMT2AJAK2JAK1
SCHEMBL2312263 0.87 SMN1; SMN2 (0.54) MAPTKCNK3KCNK9RAB9ANPC1
SCHEMBL2312000 0.86 RAB9A (0.53) MAPTKCNK3KCNK9RAB9ANPC1
SCHEMBL2307990 0.86 MEN1 (0.52) MAPTRAB9ANPC1TP53KMT2A
SCHEMBL2311455 0.86 MEN1 (0.48) MAPTRAB9ANPC1TP53KMT2A
SCHEMBL2313062 0.86 NPC1 (0.50) RAB9ANPC1KMT2AF2R
SCHEMBL2310677 0.85 NPC1 (0.40) MAPTRAB9ANPC1KMT2AJAK2

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 8 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-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 PKM 3307/4885MAPT 3310/4885KCNK3 3640/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885MAPT 3310/4885KCNK3 3640/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP PKM 3307/4885MAPT 3310/4885KCNK3 3640/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885MAPT 3310/4885KCNK3 3640/4885

“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.