SCHEMBL17045100

SCHEMBL17045100

CC(=O)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
CYP2C9 P11712 1/20 0.46
HRH3 Q9Y5N1 9/20 0.45
ENPP2 Q13822 2/20 0.42
HPGDS O60760 1/20 0.41
KDM2B Q8NHM5 2/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL15550551 1.00 APP (0.46) APPCYP2C9HRH3ENPP2HPGDS
SCHEMBL11029299 0.88 HRH3 (0.46) HRH3ENPP2HPGDSKCNH2MAPK1
SCHEMBL18532945 0.88 HRH3 (0.46) HRH3ENPP2HPGDSKCNH2MAPK1
SCHEMBL11942496 0.88 HRH3 (0.46) HRH3ENPP2HPGDSKCNH2MAPK1
SCHEMBL15551565 0.87 EPHX2 (0.48) APPCYP2C9HRH3ENPP2HPGDS
SCHEMBL15551563 0.87 EPHX2 (0.48) APPCYP2C9HRH3ENPP2HPGDS
SCHEMBL17053655 0.83 HRH3 (0.55) HRH3MAPK1SMN1; SMN2F2PLG
SCHEMBL20325744 0.83 HRH3 (0.53) HRH3SMN1; SMN2F2PLGPLAU
SCHEMBL17057724 0.81 ENPP2 (0.52) APPCYP2C9ENPP2KDM2BCYP2A6
SCHEMBL20171548 0.81 ENPP2 (0.52) APPCYP2C9ENPP2KDM2BCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877185-B1 2-(1-(1-(6-((CYCLOHEXYL)OXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)ETHYL)PIPERIDIN-3-YL)ACETIC ACID DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATIONS AND AUTOIMMUNE DISORDERS BIOGEN MA INC (US) 2018-05-23 EP disclosed
EP-2877185-B1 2-(1-(1-(6-((CYCLOHEXYL)OXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)ETHYL)PIPERIDIN-3-YL)ACETIC ACID DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATIONS AND AUTOIMMUNE DISORDERS BIOGEN MA INC (US) 2018-05-23 EP disclosed
US-9555050-B2 ATX modulating agents BIOGEN MA INC. (US) 2017-01-31 US disclosed
US-20150246063-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-09-03 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-20150246063-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 APP 2121/4885CYP2C9 4872/4885HRH3 2002/4885

“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.