Sugi Predict

Sugi Predict / Compounds / SCHEMBL6206695

SCHEMBL6206695

SCHEMBL6206695

CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(-c3ccc(Br)cn3)s2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MMP13 P45452 8/20 0.33
▸ MMP2 P08253 5/20 0.33
▸ MMP1 P03956 4/20 0.33
▸ MMP8 P22894 4/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP7 P09237 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ ADAM17 P78536 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL6205988 0.87 MMP2 (0.38) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL5908593 0.82 CYP3A4 (0.47) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL6206551 0.82 MMP13 (0.32) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL6228296 0.81 CYP3A4 (0.43) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL8321170 0.81 MMP1 (0.31) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL5908639 0.76 CYP3A4 (0.57) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL6207339 0.76 MMP13 (0.49) CYP3A4CYP2C9CYP2C19MMP13MMP2
SCHEMBL6204747 0.73 CYP3A4 (0.49) CYP3A4CYP2C9PKMCYP2C19MMP13
SCHEMBL8313400 0.73 MMP13 (0.34) DGAT1MMP13CA12CA1CA2
SCHEMBL6231646 0.73 MMP9 (0.38) CYP3A4CYP2C9PKMCYP2C19MMP13

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 DGAT1 1459/4885CYP3A4 3357/4885CYP2C9 2247/4885

“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.