SCHEMBL2311432

SCHEMBL2311432

CC1(C)OB(O)c2cc(NC(=O)c3cc(C(F)(F)F)ccc3F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.45
JAK3 P52333 1/20 0.45
KDR P35968 3/20 0.43
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RET P07949 1/20 0.41
TLK2 Q86UE8 1/20 0.41
SORT1 Q99523 2/20 0.41
PDGFRB P09619 2/20 0.41
TLR8 Q9NR97 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
BACE1 P56817 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL2312902 0.92 GPR27 (0.46) BTKJAK3CA12CA1CA2
SCHEMBL2314903 0.90 JAK3 (0.49) BTKJAK3CA12CA1CA2
SCHEMBL2313734 0.89 JAK2 (0.52) BTKJAK3CA12CA1CA2
SCHEMBL2311479 0.88 JAK3 (0.49) BTKJAK3KDRCA12CA1
SCHEMBL2313328 0.86 GRM5 (0.45) BTKJAK3CA1CA2TLR8
SCHEMBL2312595 0.86 PTGS1 (0.52) BTKJAK3CA12CA1CA2
SCHEMBL2307990 0.84 MEN1 (0.52) LMNATP53MAPTSMN1; SMN2
SCHEMBL2312352 0.83 HDAC3 (0.49) BTKJAK3CA12CA1CA2
SCHEMBL2313313 0.82 PTGS1 (0.58) BTKJAK3KDRLCKLMNA
SCHEMBL2311077 0.81 JAK3 (0.49) BTKJAK3CA12CA1CA2

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 BTK 68/4885JAK3 3665/4885KDR 4839/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP BTK 68/4885JAK3 3665/4885KDR 4839/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP BTK 68/4885JAK3 3665/4885KDR 4839/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP BTK 68/4885JAK3 3665/4885KDR 4839/4885

“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.