SCHEMBL4867578

SCHEMBL4867578

CCCN1C(=O)[C@H](CC)N(S(=O)(=O)c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34
PARK7 Q99497 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 2/20 0.32
CMA1 P23946 1/20 0.32

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
SCHEMBL4863678 0.94 MMP2 (0.38) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4869264 0.91 PARK7 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4867899 0.88 BRD4 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4863631 0.87 PARK7 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4871154 0.87 MMP2 (0.50) MMP2PARK7MEN1KMT2A
SCHEMBL4865611 0.87 MMP2 (0.38) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4869269 0.86 MMP2 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4870419 0.79 MMP2 (0.42) MMP2ESR1ALDH1A1BRD4
SCHEMBL4862003 0.79 PARK7 (0.43) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4867661 0.78 MMP2 (0.41) MMP2ESR1ALDH1A1MEN1KMT2A

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 2599/4885PSEN1 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.