SCHEMBL6231944

SCHEMBL6231944

O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc3nc(-c4ccc5c(c4)OCO5)sc3c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPK1 P28482 2/20 0.37
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP13 P45452 4/20 0.37
MMP14 P50281 4/20 0.37
POLB P06746 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
SCHEMBL6276528 0.88 ALDH1A1 (0.37) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL8312860 0.88 RORC (0.37) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6234746 0.87 MMP2 (0.44) ALDH1A1HSD17B10MMP1MMP2MMP13
SCHEMBL6267605 0.86 MMP13 (0.37) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL6231050 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL6278357 0.86 MMP8 (0.46) MMP1MMP2MMP13MMP14MMP3
SCHEMBL6230523 0.85 MMP2 (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL6230548 0.85 MMP13 (0.41) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6229096 0.85 MMP2 (0.44) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL8312513 0.84 MMP13 (0.45) MMP1MMP2MMP13MMP3MMP9

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
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
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 ALDH1A1 1789/4885HPGD 261/4885KDM4E 1844/4885

“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.