SCHEMBL4867664

SCHEMBL4867664

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
MMP8 P22894 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 2/20 0.38
MMP3 P08254 1/20 0.38
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL4871674 0.90 ALDH1A1 (0.42) ALDH1A1TP53LMNAHTTSMN1; SMN2
SCHEMBL4869904 0.86 ALDH1A1 (0.41) ALDH1A1TP53LMNAHTTSMN1; SMN2
SCHEMBL4869909 0.82 ALDH1A1 (0.42) ALDH1A1TP53LMNAHTTSMN1; SMN2
SCHEMBL4870251 0.80 ALDH1A1 (0.47) ALDH1A1TP53LMNAHTTSMN1; SMN2
SCHEMBL4864117 0.79 ALDH1A1 (0.44) ALDH1A1TP53LMNAHTTSMN1; SMN2
SCHEMBL4490135 0.79 MMP8 (0.38) ALDH1A1TP53PSEN1PSEN2APH1B
SCHEMBL5211941 0.77 PSEN1 (0.43) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL5213033 0.77 PSEN1 (0.43) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL3886457 0.77 PSEN1 (0.43) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL4496382 0.74 MMP8 (0.40) ALDH1A1TP53PSEN1PSEN2APH1B

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 1051/4885TP53 848/4885LMNA 3727/4885

“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.