SCHEMBL4863678

SCHEMBL4863678

CCCCN1C(=O)[C@H](CC)N(S(=O)(=O)c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
CASP3 P42574 12/20 0.35
CASP7 P55210 11/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CASP1 P29466 3/20 0.33
CASP6 P55212 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
SCHEMBL4867578 0.94 MMP2 (0.40) MMP2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL4869264 0.89 PARK7 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4867899 0.86 BRD4 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4863631 0.85 PARK7 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4865611 0.85 MMP2 (0.38) MMP2CASP3CASP7ALDH1A1PSEN1
SCHEMBL4871154 0.85 MMP2 (0.50) MMP2CASP3CASP7
SCHEMBL4869269 0.84 MMP2 (0.42) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4867620 0.78 KMT2A (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4862003 0.78 PARK7 (0.43) MMP2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL4870419 0.78 MMP2 (0.42) MMP2ALDH1A1TSHR

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 2599/4885CASP3 4063/4885CASP7 4334/4885

“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.