SCHEMBL1973396

SCHEMBL1973396

Oc1ccc(C(O)C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.43
ESR2 Q92731 7/20 0.43
DEGS1 O15121 2/20 0.36
GRIN2B Q13224 10/20 0.35
GRIN1 Q05586 4/20 0.33
PDE10A Q9Y233 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
SCHEMBL29618139 0.80 APLNR (0.46) PDE10A
SCHEMBL10328707 0.80 APLNR (0.46) PDE10A
SCHEMBL16011597 0.78 S1PR3 (0.37)
SCHEMBL2693524 0.78 ALDH1A1 (0.37) PDE10A
SCHEMBL29739695 0.78 PTGS1 (0.36) PDE10A
SCHEMBL25160107 0.78 PDE10A (0.46) PDE10A
SCHEMBL2147552 0.78 ALDH1A1 (0.37) PDE10A
SCHEMBL25700628 0.78 ABL1 (0.33) PDE10A
SCHEMBL2897054 0.76 ESR1 (0.50) ESR1ESR2GRIN2BGRIN1
SCHEMBL20644491 0.76 OGA (0.37) ESR1ESR2DEGS1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9329185-B2 Sulfonate compounds UNIVERSITY OF MASSACHUSETTS (US) 2016-05-03 US disclosed
US-9329185-B2 Sulfonate compounds UNIVERSITY OF MASSACHUSETTS (US) 2016-05-03 US disclosed
US-9329185-B2 Sulfonate compounds UNIVERSITY OF MASSACHUSETTS (US) 2016-05-03 US disclosed
US-20140275526-A1 SULFONATE COMPOUNDS UNIVERSITY OF MASSACHUSETTS (US) 2014-09-18 US disclosed
US-20140275526-A1 SULFONATE COMPOUNDS UNIVERSITY OF MASSACHUSETTS (US) 2014-09-18 US disclosed
US-20140275526-A1 SULFONATE COMPOUNDS UNIVERSITY OF MASSACHUSETTS (US) 2014-09-18 US disclosed
US-8609699-B2 Oxotetrahydrofuran-2-yl-benzimidazole derivative MSD K.K. (JP) 2013-12-17 US disclosed
EP-2328892-B1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2013-01-16 EP disclosed
US-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
EP-2328892-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD K.K. (JP) 2011-06-08 EP disclosed
WO-2010024110-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-03-04 WO 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-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE GCK, GCKR, KHK ESR1 4222/4885ESR2 3764/4885DEGS1 3040/4885

“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.