SCHEMBL4862003

SCHEMBL4862003

CCN1C(=O)[C@H](C)N(S(=O)(=O)c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.43
PSEN1 P49768 6/20 0.43
PSEN2 P49810 6/20 0.43
APH1B Q8WW43 6/20 0.43
NCSTN Q92542 6/20 0.43
APH1A Q96BI3 6/20 0.43
PSENEN Q9NZ42 6/20 0.43
MMP2 P08253 2/20 0.39
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
BRD4 O60885 3/20 0.38
ESR1 P03372 1/20 0.37
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
RORC P51449 1/20 0.33

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 0.88 PARK7 (0.42) PARK7PSEN1PSEN2APH1BNCSTN
SCHEMBL4863631 0.83 PARK7 (0.42) PARK7PSEN1PSEN2APH1BNCSTN
SCHEMBL4867578 0.79 MMP2 (0.40) PARK7PSEN1PSEN2APH1BNCSTN
SCHEMBL4863678 0.78 MMP2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4867899 0.77 BRD4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4871154 0.77 MMP2 (0.50) PARK7MMP2KMT2A
SCHEMBL4865611 0.77 MMP2 (0.38) PARK7PSEN1PSEN2APH1BNCSTN
SCHEMBL4869269 0.75 MMP2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4499250 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4870419 0.75 MMP2 (0.42) MMP2BRD4ESR1ALDH1A1

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 PARK7 4572/4885PSEN1 1076/4885PSEN2 1056/4885

“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.