SCHEMBL7681499

SCHEMBL7681499

Cc1ccc(S(=O)(=O)OCC2COc3ccc4[nH]c(C(=O)O)cc4c3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.47
DRD2 P14416 11/20 0.47
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR2B P41595 8/20 0.47
PIN1 Q13526 1/20 0.35
LMNA P02545 2/20 0.35
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7681490 1.00 HTR1A (0.47) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6630215 0.88 HTR1A (0.40) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6631890 0.88 HTR1A (0.40) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6628607 0.85 HTR1A (0.40) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6630575 0.85 HTR1A (0.40) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6196047 0.81 DRD2 (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6631298 0.81 DRD2 (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL4361994 0.81 DRD2 (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6768901 0.79 LMNA (0.37) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7677439 0.79 LMNA (0.37) HTR1ADRD2HTR2AHTR2CHTR2B

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-6353002-B2 DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B HTR1A 5/4885DRD2 94/4885HTR2A 28/4885

“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.