SCHEMBL7679166

SCHEMBL7679166

O=S(=O)(Cc1ccc(N2CCC(c3ccccc3)CC2)cc1)Cc1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 2/20 0.45
SLC18A3 Q16572 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RORC P51449 2/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR5 P51681 2/20 0.44
DRD4 P21917 1/20 0.44
IP6K1 Q92551 1/20 0.43

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
SCHEMBL6674717 0.80 MEN1 (0.49) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL22537879 0.80 DRD2 (0.53) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL7446491 0.79 MBTD1 (0.55) SIGMAR1DRD2SLC18A3CYP1A2CYP2D6
SCHEMBL8343036 0.78 CA1 (0.63) MMP2MMP9MMP13DRD2ALDH1A1
SCHEMBL8343032 0.78 MMP2 (0.53) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL7412896 0.77 RAB9A (0.50) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL23655354 0.76 ADH1B (0.50) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL8340141 0.75 FFAR4 (0.63) KMT2AMEN1SIGMAR1TP53CYP1A2
SCHEMBL939776 0.74 SLC18A3 (0.52) MMP2MMP9MMP13KMT2AMEN1
SCHEMBL241159 0.74 DHFR (0.50) MMP2MMP9MMP13KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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 (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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 MMP2 4/4885MMP9 2/4885MMP13 15/4885

“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.