SCHEMBL7676015

SCHEMBL7676015

Cc1ccc(S(=O)(=O)OCC2COc3ccc(N)c(C)c3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
CA2 P00918 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ACHE P22303 1/20 0.32

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
Hydrochloric Acid SCHEMBL6764944 0.99 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5765746 0.93 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6746121 0.93 LMNA (0.41) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6203470 0.92 LMNA (0.40) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4929048 0.92 LMNA (0.40) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5103621 0.91 LMNA (0.39) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7234943 0.90 LMNA (0.39) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5113554 0.88 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5111847 0.88 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6777770 0.88 LMNA (0.38) LMNACA2SMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 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-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene SNCA, SYNJ1, SLC6A3 LMNA 4162/4885CA2 4600/4885SMN1; SMN2 1783/4885

“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.