SCHEMBL4864117

SCHEMBL4864117

CCOC(=O)Oc1ccc(S(=O)(=O)N2c3cc(Br)ccc3NC(=O)[C@@H]2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MMP8 P22894 3/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
TP53 P04637 1/20 0.40
BDKRB1 P46663 3/20 0.40
MMP3 P08254 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NQO2 P16083 1/20 0.36
TDP2 O95551 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
SCHEMBL4867868 0.92 ALDH1A1 (0.44) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4870251 0.90 ALDH1A1 (0.47) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4871674 0.89 ALDH1A1 (0.42) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4869904 0.84 ALDH1A1 (0.41) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4867664 0.79 ALDH1A1 (0.44) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4485706 0.79 MMP8 (0.40) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4499956 0.79 MMP8 (0.40) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4496413 0.79 MMP8 (0.40) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4497223 0.76 MMP8 (0.38) ALDH1A1POLBMMP8MMP2MMP9
SCHEMBL4498017 0.76 MMP8 (0.38) ALDH1A1POLBMMP8MMP2MMP9

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 4581/4885MMP8 1512/4885

“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.