SCHEMBL2492152

SCHEMBL2492152

C=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMO O15229 2/20 0.36
PHGDH O43175 1/20 0.36

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
Hydrogen Sulfide SCHEMBL28190447 0.98 TSHR (0.45) TSHRSRD5A2KDM4EMEN1NPC1
SCHEMBL869560 0.84 TAS1R3 (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL20934776 0.82 SLC6A2 (0.43) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL31394687 0.82 TSHR (0.42) TSHRHSD17B10HPGDNPFFR2POLB
SCHEMBL981100 0.82 NPFFR2 (0.50) NPFFR2
SCHEMBL27770756 0.82 TSHR (0.44) TSHRMAPTKMT2ANPFFR2
SCHEMBL113435 0.78 HPGD (0.39) TSHRHSD17B10HPGD
SCHEMBL28800472 0.78 AR (0.49)
SCHEMBL570661 0.77
SCHEMBL14955984 0.77 NOTUM (0.32)

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
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 EP disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 EP disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 US disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 US disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156860-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-01-22 US disclosed
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-01-22 US disclosed
US-8853186-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853186-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
EP-2782448-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
WO-2013078070-A1 BORON-CONTAINING SMALL MOLECULES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
WO-2013078070-A1 BORON-CONTAINING SMALL MOLECULES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
EP-2379537-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-10-26 EP disclosed
WO-2010070068-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-24 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-20160000813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TSHR 1108/4885SRD5A2 4242/4885KDM4E 2143/4885
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TSHR 1108/4885SRD5A2 4242/4885KDM4E 2143/4885
US-20150025038-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 TSHR 1108/4885SRD5A2 4242/4885KDM4E 2143/4885

“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.