SCHEMBL7687614

SCHEMBL7687614

CC(C)(Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)C(=O)CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
AURKA O14965 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
KIF11 P52732 1/20 0.44
EPHX2 P34913 2/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 2/20 0.42
PTGER4 P35408 1/20 0.42
SERPINE1 P05121 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL7671151 0.80 AURKA (0.49) MMP2MMP9MMP8AURKATPX2
SCHEMBL4252166 0.79 PPARA (0.64) PPARDPPARAPPARGPOLBHPGD
SCHEMBL6293042 0.78 MMP2 (0.57) MMP2MMP9MMP8AURKATPX2
SCHEMBL7673832 0.75 MAOB (0.47) MMP2MMP9MMP8AURKATPX2
SCHEMBL10740880 0.75 ALDH1A1 (0.42) EPHX2NR1H4POLBTRPV1TP53
SCHEMBL30837224 0.71 AURKA (0.54) MMP2MMP9MMP8AURKATPX2
SCHEMBL639632 0.71 GSK3B (0.59) MMP2MMP9MMP8EPHX2NR1H4
SCHEMBL8794052 0.71 PPARA (0.71) EPHX2PPARAPPARGPOLBHRH2
SCHEMBL941096 0.71 GRK6 (0.45) MMP2MMP9MMP8AURKATPX2
SCHEMBL10078425 0.71 KIF11 (0.45) AURKATPX2KIF11PPARAPTGER4

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 2/4885MMP8 19/4885

“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.