SCHEMBL4871154

SCHEMBL4871154

CC[C@H]1C(=O)N(Cc2ccccc2)c2ccc(F)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HTT P42858 1/20 0.38
PARK7 Q99497 1/20 0.38
EGFR P00533 1/20 0.37
CA12 O43570 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL4869264 0.89 PARK7 (0.42) MMP2PARK7
SCHEMBL4867578 0.87 MMP2 (0.40) MMP2KMT2AMEN1PARK7
SCHEMBL4863678 0.85 MMP2 (0.38) MMP2CASP3CASP7
SCHEMBL4863631 0.84 PARK7 (0.42) MMP2PARK7
SCHEMBL4865611 0.84 MMP2 (0.38) MMP2KMT2AMEN1PARK7CASP3
SCHEMBL4867899 0.83 BRD4 (0.42) MMP2KMT2AMEN1
SCHEMBL4869269 0.81 MMP2 (0.42) MMP2KMT2AMEN1
SCHEMBL4866457 0.77 KMT2A (0.57) KMT2AMEN1TRPA1HTTPARK7
SCHEMBL4862003 0.77 PARK7 (0.43) MMP2KMT2APARK7
SCHEMBL4870419 0.77 MMP2 (0.42) MMP2CA1CA2

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-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US claimed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 US claimed
US-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 MMP2 2599/4885KMT2A 2436/4885MEN1 4543/4885

“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.