SCHEMBL6622933

SCHEMBL6622933

CCCc1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
CYP2D6 P10635 1/20 0.62
KMT2A Q03164 1/20 0.62
MGLL Q99685 5/20 0.55
FAAH O00519 1/20 0.46
PLK1 P53350 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
THRB P10828 2/20 0.45
THRA P10827 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11010367 0.89 MGLL (0.58) KMT2AMGLLFAAHPLK1HTR2A
SCHEMBL11010359 0.89 MGLL (0.58) KMT2AMGLLFAAHPLK1HTR2A
SCHEMBL20883790 0.87 MEN1 (0.66) MEN1CYP2D6KMT2AMGLLPLK1
SCHEMBL28675479 0.84 MGLL (0.54) MEN1KMT2AMGLLFAAHPLK1
SCHEMBL7036133 0.80 MEN1 (0.60) MEN1CYP2D6KMT2AMGLLALDH1A1
Hydrochloric Acid SCHEMBL27829790 0.79 MEN1 (0.64) MEN1CYP2D6KMT2AMGLLHTR2A
Hydrochloric Acid SCHEMBL20838548 0.79 MEN1 (0.63) MEN1CYP2D6KMT2AMGLLALDH1A1
SCHEMBL1582773 0.78 KMT2A (0.96) MEN1CYP2D6KMT2AMGLLPOLB
SCHEMBL28750644 0.78 MEN1 (0.58) MEN1CYP2D6KMT2AMGLLHTR2A
SCHEMBL27480718 0.78 MEN1 (0.62) MEN1CYP2D6KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472244-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-11-03 EP disclosed
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-10-21 US disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
WO-2003045944-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-06-05 WO disclosed
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2003-04-17 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-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 MEN1 3491/4885CYP2D6 2809/4885KMT2A 1302/4885
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 MEN1 3491/4885CYP2D6 2809/4885KMT2A 1302/4885

“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.