SCHEMBL4871094

SCHEMBL4871094

CC[C@H]1C(=O)Nc2cc(F)ccc2N1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 2/20 0.41
PAX8 Q06710 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CMA1 P23946 1/20 0.37
TP53 P04637 1/20 0.37
BDKRB1 P46663 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL4869904 0.81 ALDH1A1 (0.41) KMT2APOLBALDH1A1CMA1TP53
SCHEMBL4869909 0.80 ALDH1A1 (0.42) KMT2APOLBALDH1A1PTGDRPTGDR2
SCHEMBL4860885 0.80 HSD11B1 (0.42) KMT2AHSD11B1PAX8POLBALDH1A1
SCHEMBL4871674 0.79 ALDH1A1 (0.42) KMT2APOLBALDH1A1TP53BDKRB1
SCHEMBL4868794 0.79 HSD11B1 (0.41) KMT2AHSD11B1PAX8POLBALDH1A1
SCHEMBL4872188 0.77 MAPK1 (0.48) KMT2AHSD11B1POLBALDH1A1PTGDR2
SCHEMBL4867868 0.75 ALDH1A1 (0.44) KMT2APOLBALDH1A1TP53BDKRB1
SCHEMBL5211097 0.74 CYP3A4 (0.41) KMT2AHSD11B1PAX8ALDH1A1PTGDR
SCHEMBL5211455 0.74 PSEN1 (0.47) KMT2AHSD11B1POLBALDH1A1TP53
SCHEMBL5210773 0.73 HSD11B1 (0.39) HSD11B1PAX8PTGDRPTGDR2PSEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2436/4885HSD11B1 386/4885PAX8 1461/4885

“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.