SCHEMBL4869258

SCHEMBL4869258

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.50
MMP2 P08253 3/20 0.43
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4867915 0.87 BRD4 (0.42) BRD4MMP2CA1CA2ESR1
SCHEMBL4870419 0.87 MMP2 (0.42) BRD4MMP2CA1CA2ESR1
SCHEMBL4867899 0.87 BRD4 (0.42) BRD4MMP2ESR1MEN1CYP1A2
SCHEMBL4869269 0.83 MMP2 (0.42) BRD4MMP2ESR1MEN1CYP1A2
SCHEMBL4871661 0.83 MMP2 (0.42) BRD4MMP2CA1CA2ESR1
SCHEMBL4867578 0.76 MMP2 (0.40) BRD4MMP2ESR1ALDH1A1MEN1
SCHEMBL4867661 0.75 MMP2 (0.41) MMP2PKMCA1CA2ESR1
SCHEMBL4869264 0.75 PARK7 (0.42) BRD4MMP2ESR1
SCHEMBL4863678 0.74 MMP2 (0.38) MMP2ALDH1A1TSHR
SCHEMBL5213832 0.73 PSEN1 (0.49) MMP2ESR1ALDH1A1POLBLMNA

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 BRD4 1413/4885MMP2 2599/4885PKM 4454/4885

“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.