SCHEMBL2312902

SCHEMBL2312902

CC1(C)OB(O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.46
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
TRPV4 Q9HBA0 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
NTRK1 P04629 3/20 0.41
SMO Q99835 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SORT1 Q99523 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
NTRK2 Q16620 1/20 0.40
AURKA O14965 2/20 0.40
RPS6KB1 P23443 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL2311432 0.92 BTK (0.45) JAK3BTKCA12CA1CA2
SCHEMBL2311479 0.90 JAK3 (0.49) GPR27JAK3BTKTRPV4CA12
SCHEMBL2314903 0.88 JAK3 (0.49) JAK3BTKCA12CA1CA2
SCHEMBL2310942 0.87 ALDH1A1 (0.49) GPR27JAK3BTKCA12CA1
SCHEMBL2313734 0.87 JAK2 (0.52) JAK3BTKCA12CA1CA2
SCHEMBL15937424 0.86 PLG (0.42) JAK3BTKPTGDR2GAASMN1; SMN2
SCHEMBL2312595 0.86 PTGS1 (0.52) JAK3BTKTRPV4CA12CA1
SCHEMBL2312265 0.85 BACE1 (0.51) GPR27JAK3BTKPTGDR2GAA
SCHEMBL2307990 0.84 MEN1 (0.52) SMN1; SMN2
Acoziborole SCHEMBL1164186 0.83 JAK3 (0.49) JAK3BTKCA12CA1CA2

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 GPR27 3262/4885JAK3 3665/4885BTK 68/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GPR27 3262/4885JAK3 3665/4885BTK 68/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP GPR27 3262/4885JAK3 3665/4885BTK 68/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GPR27 3262/4885JAK3 3665/4885BTK 68/4885

“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.