SCHEMBL16619452

SCHEMBL16619452

O=Cc1cc(=O)oc2ccc(C(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP4B1 P13584 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
SCHEMBL15842829 0.79 MCL1 (0.58) PON1PGRALDH1A1CYP1A1CYP1A2
SCHEMBL6186050 0.78 PON1 (0.47) PON1PGRALDH1A1LMNATBK1
SCHEMBL17107553 0.78 PTPN1 (0.50) PIM1PIM2KDM4EEPHX2
SCHEMBL15842389 0.77 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2CA9CA1
SCHEMBL28119069 0.75 PTPN1 (0.48) PIM1PIM2KDM4EEPHX2
SCHEMBL16629667 0.75 PON1 (0.58) PON1PGRALDH1A1LMNASMN1; SMN2
SCHEMBL22044994 0.73 EPHX2 (0.47) TBK1CYP1A1CYP1A2CYP1B1CYP2E1
SCHEMBL1395382 0.73 NQO1 (0.58) ALDH1A1LMNASMN1; SMN2CA9CA1
SCHEMBL18014738 0.72 PON1 (0.58) PON1PGRALDH1A1LMNACYP1A1
SCHEMBL22501677 0.71 CA9 (0.69) ALDH1A1LMNACA9CA1CA2

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-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 — — EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 — — 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 (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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 PON1 3182/4885PGR 1786/4885ALDH1A1 1923/4885

“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.

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