SCHEMBL4870448

SCHEMBL4870448

CC[C@H]1C(=O)N(CC)c2cc(Br)ccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
CUL4A Q13619 1/20 0.37
CES1 P23141 1/20 0.36
ESR1 P03372 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PKM P14618 2/20 0.34
HSP90AA1 P07900 1/20 0.34
ACHE P22303 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 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
SCHEMBL4867661 0.96 MMP2 (0.41) MMP2ALDH1A1TSHRCUL4ACES1
SCHEMBL4871661 0.88 MMP2 (0.42) MMP2ALDH1A1CUL4AESR1CA1
SCHEMBL4863631 0.87 PARK7 (0.42) MMP2ESR1RECQL
SCHEMBL4867915 0.85 BRD4 (0.42) MMP2ALDH1A1CUL4AESR1CA1
SCHEMBL4870419 0.83 MMP2 (0.42) MMP2ALDH1A1TSHRESR1MAPT
SCHEMBL4869264 0.82 PARK7 (0.42) MMP2ESR1RECQL
SCHEMBL4503821 0.76 MMP2 (0.37) MMP2ALDH1A1TSHRESR1MAPT
SCHEMBL4502989 0.76 MMP2 (0.37) MMP2ALDH1A1TSHRESR1MAPT
SCHEMBL4499347 0.76 MMP2 (0.37) MMP2ALDH1A1TSHRESR1MAPT
SCHEMBL5211001 0.76 PSEN1 (0.47) MMP2ESR1

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 2599/4885ALDH1A1 1051/4885TSHR 88/4885

“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.