SCHEMBL2315879

SCHEMBL2315879

CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.47
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
BACE1 P56817 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.38
FADS1 O60427 1/20 0.37
SNCA P37840 2/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 1/20 0.35
RAB9A P51151 5/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 4/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL2310942 0.89 ALDH1A1 (0.49) JAK3BTKBACE1CA12CA1
SCHEMBL2309884 0.88 MEN1 (0.42) JAK3BTKBACE1CA12CA1
SCHEMBL2314797 0.87 GPR27 (0.44) F2RJAK3BTKBACE1CA1
SCHEMBL2312590 0.87 GRM4 (0.45) JAK3BTKALDH1A1FADS1RAB9A
SCHEMBL2313062 0.85 NPC1 (0.50) F2RCA12CA9ALDH1A1RAB9A
Acoziborole SCHEMBL29502840 0.85 JAK3 (0.49) JAK3BTKBACE1CA12CA1
Acoziborole SCHEMBL1164186 0.85 JAK3 (0.49) JAK3BTKBACE1CA12CA1
SCHEMBL2311077 0.83 JAK3 (0.49) F2RJAK3BTKBACE1CA12
SCHEMBL2312567 0.83 MEN1 (0.49) CA12CA1CA2CA9SNCA
SCHEMBL12879233 0.81 GPR27 (0.45) JAK3BTKALDH1A1RAB9AMAPK1

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 F2R 4721/4885JAK3 3665/4885BTK 68/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP F2R 4721/4885JAK3 3665/4885BTK 68/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP F2R 4721/4885JAK3 3665/4885BTK 68/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP F2R 4721/4885JAK3 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.