SCHEMBL3729702

SCHEMBL3729702

O=C(O)Cc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
KIF11 P52732 1/20 0.48
BACE1 P56817 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
PTGS2 P35354 1/20 0.47
AKR1B1 P15121 1/20 0.46
GCGR P47871 1/20 0.45
PPARD Q03181 2/20 0.44
TACR1 P25103 2/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL9890734 0.86 FFAR1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9890640 0.83 PTGER1 (0.53) RXRARXRBRXRGPTGDR2PTGS2
SCHEMBL5961842 0.83 PTGS1 (0.59) PTGDR2PTGS2AKR1B1
SCHEMBL9892681 0.83 PTGDR2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9892653 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL538512 0.82 KMT2A (0.60) FFAR1FFAR4PTGDR2PTGS2AKR1B1
SCHEMBL38651258 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2395131 0.82 KCNJ5 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2393653 0.82 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3507028 0.81 MMP1 (0.57) FFAR1FFAR4PTGDR2PTGS2AKR1B1

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
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 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
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 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 (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 PSEN1 2126/4885PSEN2 1867/4885APH1B 3431/4885
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 PSEN1 409/4885PSEN2 631/4885APH1B 443/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PSEN1 2126/4885PSEN2 1867/4885APH1B 3431/4885

“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.