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Sugi Predict / Compounds / SCHEMBL5840308

SCHEMBL5840308

SCHEMBL5840308

CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCC(O)(c3ccc(OC(F)(F)C(F)F)cc3)CC2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MMP9 P14780 3/20 0.36
▸ MMP8 P22894 3/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ DRD2 P14416 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5718282 0.87 MMP2 (0.42) LMNAALDH1A1HTTPOLBMMP9
SCHEMBL5908626 0.77 MMP9 (0.50) MMP9MMP8MMP1MMP3MMP14
SCHEMBL5717532 0.74 MMP2 (0.43) MMP9MMP8MMP1MMP3MMP14
SCHEMBL6231646 0.73 MMP9 (0.38) MMP9MMP8MMP1MMP3MMP14
SCHEMBL8291895 0.72 MMP2 (0.42) MEN1KMT2AMMP9MMP8MMP3
SCHEMBL5717448 0.72 MMP2 (0.55) MMP9MMP8MMP1MMP3MMP14
SCHEMBL5840614 0.72 MMP9 (0.39) MEN1KMT2AMMP9MMP8MMP1
SCHEMBL6206691 0.71 MMP13 (0.42) MMP9MMP8MMP1MMP3MMP14
SCHEMBL5717299 0.71 USP2 (0.36) MMP9MMP14PKMSMN1; SMN2MMP2
SCHEMBL5847623 0.71 MMP13 (0.44) MEN1KMT2ALMNAALDH1A1HSD17B10

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
US-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 — — US disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 — — US disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 — — WO disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 — — 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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MEN1 2447/4885KMT2A 371/4885LMNA 902/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MEN1 2447/4885KMT2A 371/4885LMNA 902/4885

“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.