SCHEMBL15924317

SCHEMBL15924317

O=C(O)c1ccc(-n2ncccc2=O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
AVPR2 P30518 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 3/20 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
SCHEMBL5066771 0.78 PDK2 (0.46) SMN1; SMN2MAPTPOLBKDM4ELMNA
SCHEMBL25423964 0.75 ALDH1A1 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5111285 0.74 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL31227650 0.74 PCSK9 (0.47) POLBALDH1A1AVPR2
SCHEMBL1725269 0.73 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL10842118 0.73 KMT2A (0.51) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL3346868 0.71 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL24939776 0.71 PTGS1 (0.51) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL8180740 0.69 MAPK10 (0.43) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL3043828 0.69 CA12 (0.61) CA12CA1CA2CA9SMN1; SMN2

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-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 US disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 US disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 US disclosed
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 US disclosed
US-9815857-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2017-07-27 US disclosed
US-9598443-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2015-12-17 US disclosed
WO-2014121124-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 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 (7 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-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA12 1698/4885CA1 3017/4885CA2 321/4885

“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.