SCHEMBL6861792

SCHEMBL6861792

Cc1ccc(S(=O)(=O)OCC2COc3ccc4[nH]c(=O)oc4c3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALPL P05186 2/20 0.34
ALPI P09923 2/20 0.34
ALPG P10696 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 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
SCHEMBL6862882 1.00 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6321164 0.84 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6322120 0.84 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6630215 0.82 HTR1A (0.40) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6631890 0.82 HTR1A (0.40) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6631298 0.80 DRD2 (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4361994 0.80 DRD2 (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6196047 0.80 DRD2 (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4368745 0.80 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5103551 0.80 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800648-B2 SCHIZOPHRENIA, BIPOLAR DISORDERS, PARKINSON'S DISEASE; DRUG ABRUSE WYETH 2004-10-05 US disclosed
US-20030073697-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-1,6,9-trioxa-3-AZA-cyclopenta[a]naphthalen-2-one WYETH 2003-04-17 US disclosed
WO-2002088142-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 WO 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-20030073697-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-1,6,9-trioxa-3-AZA-cyclopenta[a]naphthalen-2-one SNCA, TUBA1C, SLC6A3 LMNA 4322/4885ALDH1A1 1985/4885CYP3A4 2461/4885

“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.