SCHEMBL4869909

SCHEMBL4869909

CC[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc(OC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
BDKRB1 P46663 8/20 0.41
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
CMA1 P23946 1/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4869904 0.93 ALDH1A1 (0.41) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4871674 0.91 ALDH1A1 (0.42) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4867664 0.82 ALDH1A1 (0.44) ALDH1A1POLBKMT2ATP53LMNA
SCHEMBL4870251 0.81 ALDH1A1 (0.47) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4871094 0.80 KMT2A (0.45) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4864117 0.80 ALDH1A1 (0.44) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4867868 0.74 ALDH1A1 (0.44) ALDH1A1POLBBDKRB1KMT2ATP53
SCHEMBL4158564 0.73 KMT2A (0.48) KMT2A
SCHEMBL4496382 0.70 MMP8 (0.40) ALDH1A1POLBKMT2ATP53PSEN1
SCHEMBL4511409 0.70 MMP8 (0.40) ALDH1A1POLBKMT2ATP53

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 ALDH1A1 1051/4885POLB 4581/4885BDKRB1 164/4885

“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.