SCHEMBL6258207

SCHEMBL6258207

CC(OS(C)(=O)=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.40
CYP3A4 P08684 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
SCN1A P35498 3/20 0.39
SCN5A Q14524 3/20 0.39
SCN8A Q9UQD0 3/20 0.39
IGLV6-57 P01721 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3887578 0.84 CYP3A4 (0.42) MC4RCYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL28873412 0.80 MC4R (0.40) MC4RCYP3A4L3MBTL1ALDH1A1MEN1
SCHEMBL1604902 0.79 ALDH1A1 (0.38) SCN1ASCN5ASCN8AALDH1A1CES2
SCHEMBL18042368 0.79 ESR1 (0.45) L3MBTL1ALDH1A1CA1CA2
SCHEMBL16685290 0.79 ESR1 (0.45) L3MBTL1ALDH1A1CA1CA2
SCHEMBL779565 0.78 CA12 (0.43) MC4RCYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL7261205 0.78 CA1 (0.51) L3MBTL1ALDH1A1MEN1KMT2ACA12
SCHEMBL15273965 0.78 L3MBTL1 (0.37) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL7663623 0.78 LPAR1 (0.40) CYP3A4SCN1ASCN5ASCN8AL3MBTL1
SCHEMBL20303483 0.77 PSEN1 (0.44) CYP3A4SCN1ASCN5ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215435-A1 Phenylalanine derivatives as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-09-29 US disclosed
EP-1474381-B1 PHENYLALANINE DERIVATIVES AS HERBICIDES BASF AG (DE) 2005-09-28 EP disclosed
EP-1474381-A1 PHENYLALANINE DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP disclosed
WO-2003066576-A1 PHENYLALANINE DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed
EP-0144729-B1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-11-08 EP disclosed
US-4681879-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-07-21 US disclosed
US-4608374-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-08-26 US disclosed
EP-0144729-A1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-19 EP 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 (1 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-20050215435-A1 Phenylalanine derivatives as herbicides PAH, DDT, HPD MC4R 526/4885CYP3A4 315/4885CHRNB2 3655/4885

“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.