SCHEMBL195404

SCHEMBL195404

O=C(O)C1=C(O)CCC(C(=O)O)(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ THRB P10828 1/20 0.43
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ AKR1C1 Q04828 2/20 0.40
▸ SRD5A2 P31213 1/20 0.37
▸ SLC6A3 Q01959 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL694972 0.78 APP (0.66) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL16868072 0.76 APP (0.58) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL1626229 0.72 APP (0.55) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL23605577 0.70 APP (0.52) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL253214 0.69 APP (0.38) APPTHRBAKR1C3AKR1C2AKR1C1
Hydrochloric Acid SCHEMBL6170024 0.69 APP (0.51) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL5342038 0.67 THRB (0.53) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL28806294 0.67 THRB (0.49) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL23578312 0.67 THRB (0.53) APPTHRBAKR1C3AKR1C2AKR1C1
SCHEMBL11030929 0.67 SLC6A3 (0.53) APPTHRBAKR1C1SLC6A3LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 — — US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 — — EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 — — EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 — — US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 — — EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 — — 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 APP 2/4885THRB 3114/4885AKR1C3 841/4885

“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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