SCHEMBL9890645

SCHEMBL9890645

O=C(O)Cc1ccccc1-c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
PTGER1 P34995 2/20 0.50
PTGER4 P35408 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER2 P43116 2/20 0.50
CXCL8 P10145 2/20 0.46
ENPP2 Q13822 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
SUCNR1 Q9BXA5 1/20 0.44
KCNA5 P22460 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ACMSD Q8TDX5 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
SCHEMBL29459923 1.00 PTGS2 (0.53) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL2393685 0.86 KCNA5 (0.43) PTGS2KCNA5MEN1RAB9AKMT2A
SCHEMBL4610927 0.84 PTGER4 (0.66) PTGER1PTGER4PTGER3PTGER2KCNA5
SCHEMBL3507028 0.81 MMP1 (0.57) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL9105295 0.81 PTGER1 (0.57) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL5102525 0.80 KCNA5 (0.47) KCNA5MEN1RAB9AKMT2A
SCHEMBL9890683 0.80 PTGS2 (0.52) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL23347204 0.80 ALOX5AP (0.56) PTGS2KCNA5
SCHEMBL5961842 0.79 PTGS1 (0.59) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL28849409 0.79 PTGER1 (0.51) PTGS2PTGER1PTGER4PTGER3PTGER2

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 7 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
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
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (3 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 2051/4885PTGER1 1182/4885PTGER4 1681/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PTGS2 2051/4885PTGER1 1182/4885PTGER4 1681/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PTGS2 2066/4885PTGER1 1195/4885PTGER4 1561/4885

“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.