SCHEMBL2312265

SCHEMBL2312265

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B2 P19099 1/20 0.46
GPR27 Q9NS67 1/20 0.44
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
FADS1 O60427 1/20 0.40

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
SCHEMBL2313328 0.92 GRM5 (0.45) BACE1NPC1RAB9AALDH1A1LMNA
SCHEMBL2310942 0.89 ALDH1A1 (0.49) BACE1NPC1RAB9AALDH1A1GAA
SCHEMBL2310600 0.89 RAB9A (0.52) NPC1RAB9AGAAKMT2AGPR27
SCHEMBL15937424 0.88 PLG (0.42) BACE1NPC1RAB9AALDH1A1LMNA
SCHEMBL2314797 0.87 GPR27 (0.44) BACE1NPC1RAB9AALDH1A1LMNA
SCHEMBL2307990 0.85 MEN1 (0.52) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL2312902 0.85 GPR27 (0.46) GAASMN1; SMN2GPR27JAK3BTK
SCHEMBL2312590 0.85 GRM4 (0.45) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL2308307 0.84 JAK3 (0.41) BACE1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2309369 0.83 NPC1 (0.47) BACE1NPC1RAB9ALMNAKMT2A

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 10 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-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 BACE1 4552/4885NPC1 216/4885RAB9A 627/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP BACE1 4552/4885NPC1 216/4885RAB9A 627/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP BACE1 4552/4885NPC1 216/4885RAB9A 627/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP BACE1 4552/4885NPC1 216/4885RAB9A 627/4885

“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.