SCHEMBL3084929

SCHEMBL3084929

CC(C)c1ccc(Cc2cccc3[c]cccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.34
SLC5A1 P13866 3/20 0.34
IDO1 P14902 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PNP P00491 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3090873 0.90 SLC5A2 (0.34) SLC5A2SLC5A1IDO1HTR1DHTR1B
SCHEMBL3087655 0.83 TLR8 (0.33) SLC5A2SLC5A1
SCHEMBL3092710 0.83 KCNH2 (0.34) SLC5A2
SCHEMBL27771993 0.83 TLR8 (0.37)
SCHEMBL3079805 0.79 LTA4H (0.45) ALDH1A1L3MBTL1
SCHEMBL3072293 0.79 SLC6A4 (0.48) SLC5A2SLC5A1ALDH1A1
SCHEMBL3074353 0.78 SLC5A2 (0.34) SLC5A2SLC5A1IDO1HTR1DHTR1B
SCHEMBL27771988 0.73 LOXL2 (0.39)
SCHEMBL3091180 0.72 PNP (0.38) SLC5A2SLC5A1IDO1HTR1DHTR1B
SCHEMBL1371339 0.72 GABRA1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
CN-101495494-A Fused ring spiroketal derivative and use thereof as therapeutic agent for diabetes CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR SLC5A2 19/4885SLC5A1 16/4885IDO1 4695/4885

“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.