SCHEMBL9890708

SCHEMBL9890708

COC(C(=O)O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PTGS2 P35354 2/20 0.44
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL2393348 0.89 KMT2A (0.43) PTGS2FABP4FABP5PPARAPPARG
SCHEMBL2395021 0.87 SLC6A4 (0.50) SLC6A4SLC6A3PTGS2PPARATUBB4A
SCHEMBL10334974 0.86 MEN1 (0.43) FABP4FABP5PPARAPPARGMEN1
SCHEMBL9292365 0.85 SLC6A4 (0.51) SLC6A4SLC6A3PTGS2FABP4FABP5
SCHEMBL2394273 0.84 SLC6A4 (0.48) SLC6A4SLC6A3PTGS2TUBB4ATUBB
SCHEMBL9890811 0.84 SLC6A4 (0.51) SLC6A4SLC6A3PTGS2TUBB4ATUBB
SCHEMBL9890706 0.84 KDM4E (0.48) PTGS2FABP4FABP5TUBB4ATUBB
SCHEMBL9890707 0.81 ALDH1A1 (0.47) FABP4FABP5PPARAPPARGTUBB4A
SCHEMBL11556826 0.78 FABP4 (0.49) PTGS2FABP4FABP5PPARAKMT2A
SCHEMBL10334912 0.78 KCNA5 (0.46) SLC6A4SLC6A3FABP4FABP5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
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

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 SLC6A4 932/4885SLC6A3 724/4885PTGS2 2051/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 SLC6A4 932/4885SLC6A3 724/4885PTGS2 2051/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 SLC6A4 3868/4885SLC6A3 4569/4885PTGS2 3922/4885

“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.