SCHEMBL17333165

SCHEMBL17333165

CC1(C)OB(O)c2cc(NC(=O)c3ccc(N4CCCC4)cc3C(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ MAPT P10636 10/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ S1PR1 P21453 1/20 0.38

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
SCHEMBL15937435 0.93 JAK3 (0.44) JAK3BTKMAPTALDH1A1KMT2A
SCHEMBL15937432 0.89 MAPT (0.40) JAK3BTKMAPTALDH1A1KMT2A
SCHEMBL15937400 0.88 JAK3 (0.42) JAK3BTKMAPTALDH1A1KMT2A
SCHEMBL15937425 0.86 KMT2A (0.54) MAPTALDH1A1KMT2AMCL1KDM4E
SCHEMBL17333137 0.85 KMT2A (0.53) MAPTALDH1A1KMT2AMCL1KDM4E
Acoziborole SCHEMBL1164186 0.84 JAK3 (0.49) JAK3BTKALDH1A1PTGS1
SCHEMBL2311479 0.84 JAK3 (0.49) JAK3BTKMAPTRAB9ANPC1
Acoziborole SCHEMBL29502840 0.84 JAK3 (0.49) JAK3BTKALDH1A1PTGS1
SCHEMBL15937402 0.84 JAK3 (0.48) JAK3BTKNPSR1L3MBTL1
SCHEMBL15937389 0.84 KMT2A (0.52) MAPTALDH1A1KMT2AMCL1KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815857-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-11-14 — — US claimed
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2017-07-27 — — US claimed
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 — — US disclosed
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-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-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-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-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-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-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-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
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2015-12-17 — — US 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 JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885MAPT 3310/4885

“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.

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