SCHEMBL6827826

SCHEMBL6827826

O=C(O)C1(CS(=O)(=O)CCCOc2ccncc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.43
▸ CYP4A11 Q02928 3/20 0.43
▸ MMP13 P45452 5/20 0.39
▸ MMP1 P03956 4/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ MMP8 P22894 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F10 P00742 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ ABCB11 O95342 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP10 P09238 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6968315 0.87 CYP4F2 (0.45) CYP4F2CYP4A11MMP13MMP1
SCHEMBL6735054 0.86 MMP13 (0.52) CYP4F2CYP4A11MMP13MMP1MMP2
SCHEMBL6735645 0.86 MMP1 (0.47) CYP4F2CYP4A11MMP13MMP1MMP2
SCHEMBL6727259 0.85 MMP1 (0.43) CYP4F2CYP4A11MMP13MMP1MMP2
SCHEMBL6732559 0.76 MMP13 (0.53) MMP13MMP1MMP2MMP9ADAM17
SCHEMBL6735747 0.76 CHRNB2 (0.42) CYP4F2CYP4A11MMP13MMP1MMP2
SCHEMBL6730211 0.75 HDAC3 (0.46) MMP13MMP1MMP2MMP9ADAM17
SCHEMBL6727248 0.75 MMP13 (0.52) MMP13MMP1MMP2MMP9ADAM17
SCHEMBL6727303 0.74 MMP13 (0.62) MMP13MMP1MMP2MMP9ADAM17
SCHEMBL6727302 0.74 MMP13 (0.64) MMP13MMP1MMP2MMP9ADAM17

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-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 — — US claimed

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-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 CYP4F2 1463/4885CYP4A11 1360/4885MMP13 986/4885

“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.

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