SCHEMBL4215608

SCHEMBL4215608

O=C(O)c1ccc(C=Cc2ccc(C(F)(F)F)cc2)cc1Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.53
▸ AKR1C3 P42330 3/20 0.50
▸ AKR1C2 P52895 3/20 0.50
▸ TRPA1 O75762 2/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ MPO P05164 4/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ GRIK1 P39086 3/20 0.46
▸ SNCA P37840 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL4215604 1.00 MAOB (0.53) MAOBAKR1C3AKR1C2TRPA1TRPM8
SCHEMBL4217693 0.91 TRPA1 (0.50) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL4217699 0.91 TRPA1 (0.50) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL4223477 0.87 SIRT2 (0.53) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL4223479 0.87 SIRT2 (0.53) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL4225636 0.86 MMP1 (0.50) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL4225643 0.86 MMP1 (0.50) AKR1C3AKR1C2TRPA1GRIK1SNCA
SCHEMBL30294413 0.86 MPO (0.58) AKR1C3AKR1C2MPOGRIK1TAS2R14
SCHEMBL22852832 0.86 MPO (0.58) AKR1C3AKR1C2MPOGRIK1TAS2R14
SCHEMBL13877522 0.85 AKR1C3 (0.55) AKR1C3AKR1C2TRPA1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 — — US disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 — — 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-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 MAOB 2181/4885AKR1C3 105/4885AKR1C2 287/4885

“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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