Sugi Predict

Sugi Predict / Compounds / SCHEMBL12879233

SCHEMBL12879233

SCHEMBL12879233

Cc1cc(Br)ccc1C(=O)Nc1ccc2c(c1)B(O)OC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR27 Q9NS67 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ SORT1 Q99523 3/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 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
SCHEMBL2316708 0.89 RAB9A (0.51) GPR27RAB9ANPC1JAK3BTK
SCHEMBL2312939 0.88 RAB9A (0.42) PTGDR2RAB9ANPC1JAK3BTK
SCHEMBL2309884 0.87 MEN1 (0.42) RAB9ANPC1JAK3BTKALDH1A1
SCHEMBL2312263 0.85 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2312000 0.82 RAB9A (0.53) RAB9ANPC1ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL2313062 0.82 NPC1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2314797 0.81 GPR27 (0.44) GPR27PTGDR2RAB9ANPC1JAK3
SCHEMBL2315879 0.81 F2R (0.47) RAB9ANPC1JAK3BTKALDH1A1
SCHEMBL2311009 0.81 NPC1 (0.50) RAB9ANPC1JAK3BTKALDH1A1
SCHEMBL2310567 0.80 NPC1 (0.51) RAB9ANPC1ALDH1A1CYP1A2CYP2C9

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 6 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
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 (3 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-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GPR27 3262/4885TRPV1 2715/4885SORT1 3510/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP GPR27 3262/4885TRPV1 2715/4885SORT1 3510/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP GPR27 3262/4885TRPV1 2715/4885SORT1 3510/4885

“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.