SCHEMBL4154460

SCHEMBL4154460

NC(CS(=O)(=O)c1ccc(F)cc1)=NO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
HSD11B1 P28845 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 3/20 0.43
CA9 Q16790 3/20 0.43
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PAX8 Q06710 1/20 0.39

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
SCHEMBL11554583 0.82 NPC1 (0.66) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL6428540 0.81 POLB (0.68) HSD11B1POLBKMT2AALDH1A1NPC1
SCHEMBL6550260 0.81 POLB (0.68) HSD11B1POLBKMT2AALDH1A1NPC1
SCHEMBL12284893 0.79 ALDH1A1 (0.67) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL3090943 0.76 CTBP2 (0.40) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL10399093 0.73 F2 (0.54) F2PRSS1PRSS2PRSS3POLB
SCHEMBL10399095 0.73 F2 (0.54) F2PRSS1PRSS2PRSS3POLB
SCHEMBL10203496 0.73 MMP2 (0.63) HSD11B1KMT2ACA1CA2CA4
SCHEMBL3891890 0.72 ALDH1A1 (0.65) HSD11B1POLBKMT2AALDH1A1NPC1
SCHEMBL15320090 0.72 HSD11B1 (0.54) HSD11B1POLBKMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 F2 3563/4885PRSS1 1892/4885PRSS2 3075/4885

“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.