SCHEMBL4222846

SCHEMBL4222846

O=C(OC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1Nc1cncc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ACLY P53396 4/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ CDC25B P30305 4/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ MALT1 Q9UDY8 3/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL4213733 0.89 TRPV1 (0.45) DHODHPDE4BTRPV1
SCHEMBL4218343 0.85 HDAC6 (0.38) ADRA2AADRA2BADRA2CADRA1ACDC25B
Trifluoroacetic Acid SCHEMBL4222841 0.85 ACLY (0.45) MAP3K8ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4209243 0.82 ACLY (0.49) MAP3K8ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4225807 0.79 KDR (0.41) DHODHTRPV1HDAC6
SCHEMBL4218736 0.75 TRPV1 (0.48) TRPV1
Trifluoroacetic Acid SCHEMBL4213728 0.74 ACLY (0.45) ACLYPDE4BCDC25BTRPV1
SCHEMBL2273873 0.71 ABCB1 (0.60) —
SCHEMBL5554101 0.71 MAP3K8 (0.70) MAP3K8
SCHEMBL4226821 0.70 KDM4C (0.50) ACLYDHODHPDE4BCDC25BTRPV1

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
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 — — US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 — — EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 — — US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 — — EP 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 MAP3K8 939/4885ADRA2A 4560/4885ADRA2B 4614/4885

“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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