SCHEMBL9890685

SCHEMBL9890685

CC(C(=O)O)c1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
CXCL8 P10145 1/20 0.47
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
CHRM3 P20309 2/20 0.43
CHRM1 P11229 1/20 0.43
APP P05067 1/20 0.43
TYMP P19971 1/20 0.42
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
PTGS1 P23219 3/20 0.42
MEN1 O00255 3/20 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
SCHEMBL9890801 0.87 CXCL8 (0.48) PTGS2CXCL8HSP90AA1HSP90AB1CHRM3
SCHEMBL2393839 0.84 PTGS2 (0.56) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL28472426 0.83 AKR1C3 (0.58) PTGS2CXCL8MMP1MMP2MMP9
Biphenyl SCHEMBL7876282 0.82 PTGS2 (0.58) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL1072966 0.82 PTGS2 (0.56) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL2389641 0.82 HSP90AA1 (0.47) PTGS2HSP90AA1HSP90AB1CHRM3CHRM1
SCHEMBL9890709 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1CHRM3CHRM1
SCHEMBL11702696 0.79 PTGS2 (0.40) PTGS2HSP90AA1HSP90AB1APPTYMP
SCHEMBL8479916 0.79 PTGS2 (0.58) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL28535158 0.77 AKR1C3 (0.65) PTGS2CHRM3APPAKR1C3AKR1C2

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 5 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

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 2051/4885CXCL8 3300/4885HSP90AA1 1699/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PTGS2 2051/4885CXCL8 3300/4885HSP90AA1 1699/4885

“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.