Sugi Predict

Sugi Predict / Compounds / SCHEMBL2085294

SCHEMBL2085294

SCHEMBL2085294

CCCCCc1sccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 8/20 0.41
▸ GPR35 Q9HC97 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ TNNC1 P63316 5/20 0.37
▸ SGPL1 O95470 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ CERS2 Q96G23 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ TACR2 P21452 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18723624 0.87 LTB4R (0.43) LTB4RGPR35LIPGTNNC1SGPL1
SCHEMBL5109988 0.86 LTB4R (0.34) LTB4RALDH1A1
SCHEMBL87684 0.86 LTB4R (0.47) LTB4RLIPGTP53CYP3A4
SCHEMBL30669416 0.86 LTB4R (0.44) LTB4RGPR35LIPGTNNC1SGPL1
SCHEMBL15648187 0.85 LTB4R (0.49) LTB4RGPR35LIPGTP53CYP3A4
SCHEMBL14690810 0.85 LTB4R (0.49) LTB4RGPR35LIPGTP53CYP3A4
SCHEMBL15152496 0.85 LTB4R (0.49) LTB4RGPR35LIPGTP53CYP3A4
SCHEMBL6260351 0.85 LTB4R (0.49) LTB4RGPR35LIPGTP53CYP3A4
SCHEMBL18723565 0.85 LTB4R (0.43) LTB4RGPR35ALDH1A1TP53CYP3A4
SCHEMBL28854260 0.85 LTB4R (0.49) LTB4RGPR35LIPGTP53CYP3A4

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 LTB4R 2208/4885GPR35 4774/4885LIPG 4655/4885

“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.