SCHEMBL1868425

SCHEMBL1868425

O=S(=O)(O)CC(F)(F)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
PGR P06401 1/20 0.37
THRB P10828 1/20 0.37
ADRB3 P13945 1/20 0.37
OPRK1 P41145 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL9275948 0.83 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AALDH1A1TDP1
SCHEMBL1872249 0.78 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KMT2AALDH1A1TDP1
SCHEMBL1872051 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ATDP1BLM
SCHEMBL29896219 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ATDP1BLM
SCHEMBL9275943 0.76 CA1 (0.39) SMN1; SMN2L3MBTL1KMT2AALDH1A1PTGS2
Trifluoromethanesulfonic Acid SCHEMBL28203196 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL9281347 0.74 FDPS (0.45) SMN1; SMN2L3MBTL1KMT2AALDH1A1TDP1
SCHEMBL7742363 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KMT2ATDP1BLM
Butane SCHEMBL27983929 0.73 TDP1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1TDP1PTGS2
Trifluoromethanesulfonic Acid SCHEMBL6282631 0.72 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496087-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES Diakron Pharmaceuticals, Inc. (US) 2012-09-12 EP claimed
WO-2011056806-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-12 WO claimed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US claimed

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-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 SMN1; SMN2 4456/4885L3MBTL1 4752/4885KMT2A 2539/4885

“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.