SCHEMBL2308307

SCHEMBL2308307

CC1(C)OB(O)c2cc(NC(=O)c3c(F)ccc(F)c3Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BACE1 P56817 9/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
BACE2 Q9Y5Z0 5/20 0.37
IL2 P60568 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2315100 0.94 MAPT (0.39) JAK3BTKCYP1A2CYP3A4CYP2D6
SCHEMBL2308410 0.88 RAB9A (0.48) JAK3BTKCYP1A2NPC1RAB9A
SCHEMBL2310642 0.88 RAB9A (0.54) JAK3BTKCYP3A4CYP2C9CYP2C19
SCHEMBL2313226 0.86 PTPRC (0.44) JAK3BTKCYP1A2CYP3A4CYP2D6
SCHEMBL2313546 0.86 HTT (0.46) JAK3BTKSMN1; SMN2CA1CA2
SCHEMBL2313328 0.85 GRM5 (0.45) JAK3BTKNPC1RAB9ASMN1; SMN2
SCHEMBL2312265 0.84 BACE1 (0.51) JAK3BTKNPC1RAB9ASMN1; SMN2
SCHEMBL2313316 0.84 JAK3 (0.47) JAK3BTKCYP3A4NPC1RAB9A
SCHEMBL2308320 0.83 MAPT (0.39) JAK3BTKCYP1A2CYP3A4CYP2D6
SCHEMBL2309369 0.82 NPC1 (0.47) CYP3A4NPC1RAB9ASMN1; SMN2BACE1

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 JAK3 3665/4885BTK 68/4885CYP1A2 4125/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885CYP1A2 4125/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885CYP1A2 4125/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885CYP1A2 4125/4885

“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.