SCHEMBL2312224

SCHEMBL2312224

CC1(C)OB(O)c2cc(NC(=O)c3c(C(F)(F)F)ccc(Cl)c3F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDR P35968 2/20 0.39
GRM4 Q14833 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
FLT1 P17948 2/20 0.37
PDK1 Q15118 1/20 0.37
TYK2 P29597 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2309312 0.85 JAK3 (0.52) JAK3BTKRAB9ASMN1; SMN2TLR7
SCHEMBL2308320 0.84 MAPT (0.39) JAK3BTKMEN1KMT2AHTT
SCHEMBL2313226 0.83 PTPRC (0.44) JAK3BTKMEN1KMT2ARAB9A
SCHEMBL2313316 0.83 JAK3 (0.47) JAK3BTKKMT2ARAB9ASMN1; SMN2
SCHEMBL2313546 0.83 HTT (0.46) JAK3BTKMEN1KMT2AHTT
SCHEMBL2311077 0.82 JAK3 (0.49) JAK3BTKTMPRSS4RAB9A
SCHEMBL2308307 0.81 JAK3 (0.41) JAK3BTKMEN1KMT2AMAPT
SCHEMBL2313734 0.81 JAK2 (0.52) JAK3BTKMEN1KMT2ALMNA
SCHEMBL2314125 0.81 JAK3 (0.52) JAK3BTK
SCHEMBL2312121 0.81 JAK3 (0.43) JAK3BTKKMT2AMAPTTMPRSS4

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 9 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-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 JAK3 3665/4885BTK 68/4885MEN1 202/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MEN1 202/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MEN1 202/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MEN1 202/4885

“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.