Sugi Predict

Sugi Predict / Compounds / SCHEMBL2081476

SCHEMBL2081476

SCHEMBL2081476

CC(=O)c1sccc1CCCOC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.38
▸ CREBBP Q92793 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC6A1 P30531 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 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
SCHEMBL2081491 0.89 MEN1 (0.47) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL2083693 0.87 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL2083602 0.81 MEN1 (0.44) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL25210946 0.77 MEN1 (0.58) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL7191945 0.77 MEN1 (0.44) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL2083818 0.76 MEN1 (0.40) MEN1KMT2ANPC1RAB9ACREBBP
SCHEMBL12523969 0.76 MEN1 (0.47) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL2084894 0.74 KMT2A (0.47) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL9673310 0.73 KDM4C (0.53) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL11636149 0.72 MEN1 (0.58) MEN1KMT2AKDM4CCREBBPEP300

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
EP-1854791-B1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN EI GEN FFI INC (JP) 2011-07-13 — — EP disclosed
US-7897790-B2 synthetic intermediate that is useful for efficient production of kahweofuran; flavoring; when thiophene compound is reacted in hydrogen atmosphere using transition metal catalyst, cyclization occurs simultaneously with reduction, to produce a 2,3-dihydrothieno[2,3c]furan skeleton in a single step SAN-EI GEN F.F.I., INC. (JP) 2011-03-01 — — US disclosed
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same SAN EI GEN F.F.I., INC. (JP) 2008-07-10 — — US disclosed
EP-1854791-A1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN-EI GEN F.F.I., INC. (JP) 2007-11-14 — — 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-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same CYP4F3, CBR3, GTF3C4 MEN1 2693/4885KMT2A 1406/4885NPC1 1747/4885

“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.