SCHEMBL6609543

SCHEMBL6609543

CC(c1ccccc1)C(C)(C)[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SLC6A4 P31645 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
CYP2D6 P10635 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL25768136 0.80 RIPK1 (0.43) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL14431333 0.79 TAAR1 (0.50) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL416895 0.79 TAAR1 (0.50) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL18470550 0.79 TAAR1 (0.50) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL10769467 0.78 KMT2A (0.39) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL20306752 0.77 RIPK1 (0.45) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL27962755 0.76 RIPK1 (0.41) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL11968994 0.75 TAAR1 (0.44) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL1471159 0.75 SLC6A4 (0.45) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL30923543 0.75 SLC6A4 (0.45) RIPK1CACNA1FCHRM2CHRM1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 RIPK1 1668/4885CACNA1F 4498/4885CHRM2 2502/4885

“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.