SCHEMBL2313328

SCHEMBL2313328

CC1(C)OB(O)c2cc(NC(=O)c3cc(Cl)ccc3F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
P2RX1 P51575 5/20 0.43
BACE1 P56817 4/20 0.43
FADS1 O60427 3/20 0.43
P2RX4 Q99571 2/20 0.43
P2RX7 Q99572 2/20 0.43
TLR8 Q9NR97 1/20 0.43
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
TMPRSS4 Q9NRS4 2/20 0.40
LCLAT1 Q6UWP7 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL2312265 0.92 BACE1 (0.51) BACE1FADS1JAK3BTKSMN1; SMN2
SCHEMBL2310600 0.88 RAB9A (0.52) NPC1GAARAB9AKMT2A
SCHEMBL2307990 0.86 MEN1 (0.52) SMN1; SMN2NPC1ALDH1A1LMNARAB9A
SCHEMBL2311432 0.86 BTK (0.45) BACE1TLR8JAK3BTKRXFP1
SCHEMBL2314797 0.86 GPR27 (0.44) BACE1FADS1JAK3BTKTMPRSS4
SCHEMBL2308307 0.85 JAK3 (0.41) BACE1JAK3BTKSMN1; SMN2NPC1
SCHEMBL2309369 0.84 NPC1 (0.47) BACE1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL2312590 0.83 GRM4 (0.45) FADS1JAK3BTKSMN1; SMN2NPC1
SCHEMBL2310942 0.83 ALDH1A1 (0.49) BACE1JAK3BTKNPC1ALDH1A1
SCHEMBL2312121 0.83 JAK3 (0.43) P2RX1FADS1P2RX4P2RX7JAK3

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 GRM5 4571/4885P2RX1 1831/4885BACE1 4552/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GRM5 4571/4885P2RX1 1831/4885BACE1 4552/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP GRM5 4571/4885P2RX1 1831/4885BACE1 4552/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GRM5 4571/4885P2RX1 1831/4885BACE1 4552/4885

“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.