Sugi Predict

Sugi Predict / Compounds / SCHEMBL3084018

SCHEMBL3084018

SCHEMBL3084018

CCOC(CNc1ccc(C)c(Br)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ DHFR P00374 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 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
SCHEMBL8526299 0.81 ALDH1A1 (0.47) ALDH1A1LMNATSHRSMN1; SMN2EPHX1
SCHEMBL27771984 0.81 EPHX1 (0.35) EPHX1KMT2AABL1
SCHEMBL10193906 0.78 DHFR (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5713058 0.76 MAPT (0.48) ALDH1A1KDM4EHTTSMN1; SMN2EPHX1
SCHEMBL24307977 0.74 MAPT (0.55) ALDH1A1LMNAHTTMAPTTP53
SCHEMBL11526284 0.74 MAPT (0.48) ALDH1A1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL11070949 0.71 EPHX1 (0.44) ALDH1A1SMN1; SMN2EPHX1KMT2AMEN1
SCHEMBL5608579 0.71 HTT (0.51) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL935506 0.71 MAPT (0.49) ALDH1A1HTTSMN1; SMN2EPHX1KMT2A
SCHEMBL8242190 0.70 MAPT (0.55) ALDH1A1KDM4EHTTKMT2AMEN1

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 7 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-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 — — US disclosed
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
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 — — 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
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 ALDH1A1 1026/4885KDM4E 2711/4885LMNA 2203/4885

“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.