SCHEMBL3901322

SCHEMBL3901322

COc1ccc(/C=C/C(=O)O)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TNFRSF1A P19438 1/20 0.50
GAA P10253 1/20 0.50
PTGS2 P35354 1/20 0.48
LY96 Q9Y6Y9 1/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL3902810 1.00 MAPT (0.55) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL3213089 0.86 PPARG (0.46) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL18538456 0.86 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL3213077 0.86 PPARG (0.46) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL13791030 0.86 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL710706 0.82 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL29828482 0.82 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL79457 0.82 MAPT (0.79) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL29449851 0.82 MAPT (0.79) MAPTALDH1A1MEN1KMT2ACYP1A1
SCHEMBL27892982 0.82 MAPT (0.79) MAPTALDH1A1MEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 MAPT 4697/4885ALDH1A1 1096/4885MEN1 1309/4885

“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.