SCHEMBL9892644

SCHEMBL9892644

O=C(O)Cc1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
AKR1B1 P15121 1/20 0.48
POLQ O75417 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SLC13A5 Q86YT5 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KMO O15229 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FABP5 Q01469 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL187791 0.85 POLQ (0.61) PTGS2AKR1B1POLQALDH1A1TDP1
SCHEMBL29718585 0.85 POLQ (0.61) PTGS2AKR1B1POLQALDH1A1TDP1
SCHEMBL9892660 0.85 MAOB (0.44) PTGS2POLQALDH1A1HPGDFFAR4
Hydrochloric Acid SCHEMBL2529825 0.84 POLQ (0.59) PTGS2AKR1B1POLQALDH1A1TDP1
SCHEMBL28804467 0.84 SRC (0.46) PTGS2POLQALDH1A1HPGDFFAR4
SCHEMBL7827157 0.83 AKR1B1 (0.67) PTGS2AKR1B1TDP1MAPTHTT
Methyl Alcohol SCHEMBL8011354 0.82 POLQ (0.62) PTGS2AKR1B1POLQALDH1A1FFAR4
SCHEMBL27909816 0.81 THRA (0.44) PTGS2ALDH1A1HPGDFFAR4THRA
SCHEMBL2392432 0.81 MEN1 (0.44) POLQALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL12202180 0.81 POLQ (0.57) POLQALDH1A1HPGDAKR1C3AKR1C2

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PTGS2 2051/4885AKR1B1 734/4885POLQ 3938/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PTGS2 2051/4885AKR1B1 734/4885POLQ 3938/4885

“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.