SCHEMBL3269792

SCHEMBL3269792

OB(O)B(O)Oc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TRPA1 O75762 4/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.33
AGXT P21549 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
SCHEMBL2268873 0.83 CES2 (0.39) HSPB1CES2CES1TRPA1CA3
SCHEMBL30523912 0.83 CES2 (0.39) HSPB1CES2CES1TRPA1CA3
SCHEMBL1484426 0.81 IDO1 (0.43) HSPB1CES2CES1TRPA1CA3
SCHEMBL28541327 0.80 HSPB1 (0.37) HSPB1CES2CES1TRPA1CA3
SCHEMBL10456772 0.71 TRPA1 (0.56) HSPB1TRPA1ALDH1A1
SCHEMBL38660730 0.70 L3MBTL1 (0.34) TRPA1ALDH1A1MEN1MAPTHPGD
SCHEMBL25269363 0.68 INPPL1 (0.55) HSPB1CES2CES1ALDH1A1HPGD
SCHEMBL197204 0.67 LMNA (0.53) TRPA1ALDH1A1MEN1HPGDKMT2A
SCHEMBL20384403 0.67 TRPA1 (0.45) HSPB1TRPA1ALDH1A1IDO1AGXT
SCHEMBL16392368 0.67 IDO1 (0.48) HSPB1TRPA1ALDH1A1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA HSPB1 4027/4885CES2 403/4885CES1 377/4885

“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.