SCHEMBL4154458

SCHEMBL4154458

N=C(CS(=O)(=O)c1ccc(F)cc1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
MMP13 P45452 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP7 P09237 2/20 0.46
MMP3 P08254 1/20 0.46
MMP14 P50281 1/20 0.46
HSD11B1 P28845 1/20 0.46
KMT2A Q03164 4/20 0.44
MEP1B Q16820 1/20 0.43
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
MAOA P21397 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL11554579 0.82 NPC1 (0.56) MMP1MMP13CA1CA2MMP2
SCHEMBL6428538 0.81 MMP2 (0.57) MMP1MMP13CA1CA2MMP2
SCHEMBL3090941 0.76 USP2 (0.43) MMP1MMP13CA1CA2MMP2
SCHEMBL10399097 0.73 GAA (0.54) MMP1MMP13CA2MMP2MMP9
SCHEMBL10203496 0.73 MMP2 (0.63) CA1CA2MMP2MMP7MMP14
SCHEMBL9704701 0.72 CA1 (0.46) MMP1MMP13CA1CA2MMP2
SCHEMBL15320090 0.72 HSD11B1 (0.54) MMP1MMP13CA1CA2MMP2
SCHEMBL3891890 0.72 ALDH1A1 (0.65) MMP1MMP13CA1CA2MMP2
SCHEMBL16232167 0.72 HSD11B1 (0.54) MMP1MMP13CA1CA2MMP2
SCHEMBL12284893 0.72 ALDH1A1 (0.67) MMP1MMP13CA1CA2MMP2

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 MMP1 3861/4885MMP13 2161/4885CA1 725/4885

“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.