SCHEMBL1164534

SCHEMBL1164534

O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.63
CA2 P00918 13/20 0.63
CA12 O43570 12/20 0.63
CA9 Q16790 12/20 0.63
CA4 P22748 6/20 0.55
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL2280591 0.91 CA1 (0.63) CA1CA2CA12CA9CA4
SCHEMBL2422588 0.89 CA12 (0.49) CA1CA2CA12CA9CA4
SCHEMBL2283201 0.89 CA1 (0.69) CA1CA2CA12CA9CA4
SCHEMBL1164588 0.87 CA12 (0.62) CA1CA2CA12CA9CA4
SCHEMBL2276429 0.86 CA1 (0.68) CA1CA2CA12CA9CA4
SCHEMBL12317783 0.85 CA1 (0.44) CA1CA2CA12CA9CA4
SCHEMBL12920202 0.85 CA12 (0.44) CA1CA2CA12CA9
SCHEMBL2280730 0.84 CA1 (0.65) CA1CA2CA12CA9CA4
SCHEMBL2282958 0.84 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL12875460 0.84 CA1 (0.71) CA1CA2CA12CA9CA4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240133884-A1 COMPOSITIONS AND METHODS FOR DETECTING TRYPANOSOMA CRUZI INFECTION NATIONAL INSTITUTES OF HEALTH 2024-04-25 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES UNIVERSITY OF THE SCIENCES (US) 2020-12-31 US disclosed
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-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 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-2011019616-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 WO disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 WO disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 WO disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 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 (8 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-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles TXN2, ABCB7, TXN CA1 822/4885CA2 1060/4885CA12 759/4885
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA1 3017/4885CA2 321/4885CA12 1698/4885
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES ABCB7, TXN2, PRDX3 CA1 915/4885CA2 1202/4885CA12 847/4885
US-20240133884-A1 COMPOSITIONS AND METHODS FOR DETECTING TRYPANOSOMA CRUZI INFECTION RPS27A, THEM6, CD2BP2 CA1 2786/4885CA2 2226/4885CA12 727/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA1 3017/4885CA2 321/4885CA12 1698/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP CA1 3017/4885CA2 321/4885CA12 1698/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA1 3017/4885CA2 321/4885CA12 1698/4885
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 CA1 1800/4885CA2 194/4885CA12 945/4885

“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.