SCHEMBL6721899

SCHEMBL6721899

[O]C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34

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
SCHEMBL6725130 0.92 THRB (0.35) THRBCA1CA2MMP1MMP2
SCHEMBL6729052 0.80 CA2 (0.30) CA2
SCHEMBL11043010 0.75 THRB (0.41) THRBCA1CA2MMP1MMP2
SCHEMBL28533180 0.75 THRB (0.41) THRBCA1CA2MMP1MMP2
SCHEMBL21943739 0.72 TGM2 (0.35) THRBCA1CA2MMP1MMP2
SCHEMBL9580899 0.70 THRB (0.32) THRB
SCHEMBL6029682 0.70 THRB (0.37) THRBCA1CA2MMP1MMP2
SCHEMBL13094929 0.70 HDAC1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL28652020 0.70 THRB (0.37) THRBCA1CA2MMP1MMP2
SCHEMBL6437132 0.70 THRB (0.37) THRBCA1CA2MMP1MMP2

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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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 (1 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 THRB 3213/4885CA1 222/4885CA2 190/4885

“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.