SCHEMBL2312595

SCHEMBL2312595

CC1(C)OB(O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
TRPV1 Q8NER1 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
RORC P51449 1/20 0.46
ESR1 P03372 1/20 0.46
HDAC3 O15379 1/20 0.44

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
SCHEMBL2312352 0.92 HDAC3 (0.49) PTGS1TRPV1MEN1KMT2ARXFP1
SCHEMBL2310685 0.89 MEN1 (0.50) TRPV1MEN1KMT2ACA1CA2
SCHEMBL2313313 0.89 PTGS1 (0.58) PTGS1MEN1KMT2ARXFP1MAPT
SCHEMBL2312567 0.88 MEN1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL2310567 0.87 NPC1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL2310710 0.87 TRPV1 (0.53) TRPV1MEN1KMT2ACA12CA1
SCHEMBL2310596 0.87 TRPV1 (0.54) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL2311479 0.86 JAK3 (0.49) PTGS1TRPV1RXFP1CA12CA1
SCHEMBL2314903 0.86 JAK3 (0.49) PTGS1RXFP1CA12CA1CA2
SCHEMBL2311432 0.86 BTK (0.45) TRPV1RXFP1CA12CA1CA2

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 9 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-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-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 PTGS1 3547/4885TRPV1 2715/4885MEN1 202/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PTGS1 3547/4885TRPV1 2715/4885MEN1 202/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP PTGS1 3547/4885TRPV1 2715/4885MEN1 202/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PTGS1 3547/4885TRPV1 2715/4885MEN1 202/4885

“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.