SCHEMBL900965

SCHEMBL900965

FC(F)(F)Sc1[c]cccc1SC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL900761 0.79 KDM4E (0.30) ALDH1A1KDM4ETDP1
SCHEMBL900626 0.79 ALDH1A1 (0.32) ALDH1A1PKMHPGDHTTL3MBTL1
SCHEMBL3465424 0.78 HCAR1 (0.31) ALDH1A1PKMHPGDHTTL3MBTL1
SCHEMBL900608 0.78
SCHEMBL15352794 0.78 ALDH1A1 (0.31) ALDH1A1PKMHPGDHTTL3MBTL1
SCHEMBL2461690 0.75
SCHEMBL15352655 0.73 HTR2A (0.33)
SCHEMBL15352498 0.73 FFAR4 (0.30)
SCHEMBL15353447 0.70 FFAR4 (0.33)
SCHEMBL17288612 0.67 ALDH1A1 (0.34) ALDH1A1HPGDKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
CN-103228650-A Method for synthesizing compound containing thiotriazolo group BASF SE 2013-07-31 CN disclosed
US-20130184465-A1 Process for the synthesis of thio-triazolo-group containing compounds BASF SE (DE) 2013-07-18 US disclosed
WO-2012146598-A1 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 4-AMINO-2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES BASF SE (DE) 2012-11-01 WO disclosed
WO-2012146535-A1 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES BASF SE (DE) 2012-11-01 WO disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
CN-101952279-A Azolylmethyloxiranes, use thereof and agents containing the same BASF SE 2011-01-19 CN disclosed
CN-101945580-A Azolylmethyloxiranes, use thereof and compositions comprising them BASF SE 2011-01-12 CN disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 US disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ALDH1A1 20/4885PKM 1583/4885HPGD 174/4885
US-20130184465-A1 Process for the synthesis of thio-triazolo-group containing compounds WEE1, SLC39A11, TST ALDH1A1 3051/4885PKM 1293/4885HPGD 884/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 ALDH1A1 14/4885PKM 2234/4885HPGD 185/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH ALDH1A1 25/4885PKM 1877/4885HPGD 108/4885

“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.