SCHEMBL6234098

SCHEMBL6234098

CCCCc1ccc(C(=O)C2CCN(c3nc4ccc(S(=O)(=O)C5(C(=O)O)CCOCC5)cc4s3)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 8/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
MITF O75030 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8312493 0.92 MMP13 (0.47) TP53SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6264619 0.92 MMP13 (0.46) TP53SMN1; SMN2MAPT
SCHEMBL6286779 0.90 MAPT (0.40) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8317247 0.88 MAPT (0.42) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6229683 0.86 NPC1 (0.39) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6263388 0.82 MMP13 (0.41)
SCHEMBL8317378 0.75 MMP13 (0.52)
Hydrochloric Acid SCHEMBL6232519 0.74 MMP13 (0.51)
SCHEMBL6206247 0.73 SCN4A (0.43) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8316792 0.73 MMP13 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
WO-2004071389-A2 NON-STEROIDAL INFALMMATION INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 TP53 565/4885SMN1; SMN2 2960/4885MAPT 3438/4885

“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.