SCHEMBL6115491

SCHEMBL6115491

CCOC(=O)Cc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PPARG P37231 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
PTGS1 P23219 4/20 0.46
PTGS2 P35354 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
FABP2 P12104 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C4 P17516 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL6115654 0.89 PTGS2 (0.46) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL11728146 0.87 NPC1 (0.46) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL6115500 0.87 PTGS2 (0.49) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL4205169 0.86 HPGD (0.52) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL6114781 0.85 PTGS1 (0.49) SMN1; SMN2PTGS1PTGS2MEN1KMT2A
Methane SCHEMBL9085715 0.84 HPGD (0.51) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11850460 0.83 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL10713983 0.83 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL11727313 0.83 CA12 (0.47) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL8755122 0.82 TSHR (0.59) SMN1; SMN2PTGS1PTGS2MEN1KMT2A

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-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
EP-2463263-B1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2014-04-23 EP disclosed
EP-2463263-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME Riken (JP) 2012-06-13 EP disclosed
US-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2012-05-24 US disclosed
US-4053639-A 2-(2,2' OR 2,2'-FLUORO OR DIFLUORO-4-BIPHENYLYL)PROPAN-1-OL; ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC THE BOOTS COMPANY LIMITED (EN) 1977-10-11 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 (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-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME CYP2F1, PTGS2, PTGER2 SMN1; SMN2 4421/4885L3MBTL1 4810/4885NPC1 2939/4885

“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.