SCHEMBL6701004

SCHEMBL6701004

CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc3nc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)sc3c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
SCN4A P35499 1/20 0.41
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP1 P03956 1/20 0.40
MMP14 P50281 1/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
TP53 P04637 6/20 0.36
NR1H4 Q96RI1 1/20 0.36
MMP7 P09237 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL6206247 0.91 SCN4A (0.43) SCN9ASCN4AMMP3MMP9MMP8
SCHEMBL6229769 0.89 MMP9 (0.55) MMP3MMP9MMP8MMP1MMP14
SCHEMBL8321036 0.84 SCN9A (0.40) SCN9ASCN4AMAPTLMNANPC1
SCHEMBL6229903 0.82 RORC (0.49) MMP3MMP9MMP8MMP1MMP14
SCHEMBL8320969 0.80 MMP13 (0.56) MMP3MMP9MMP8MMP1MMP14
SCHEMBL6286779 0.77 MAPT (0.40) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8321916 0.77 SCN4A (0.43) SCN9ASCN4AMAPTLMNANPC1
SCHEMBL6227098 0.76 CYP3A4 (0.44) MMP3MMP9MMP8MMP1MMP14
SCHEMBL8320080 0.75 SCN9A (0.41) SCN9ASCN4AMMP3MMP9MMP8
SCHEMBL6270355 0.73 MMP2 (0.43) MMP3MMP9MMP8MMP1MMP14

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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 SCN9A 3446/4885SCN4A 4570/4885MMP3 1/4885

“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.