SCHEMBL8996222

SCHEMBL8996222

CCOC(=O)C(CC(N)=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MAPT P10636 3/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IDH1 O75874 1/20 0.39

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
SCHEMBL8996017 0.88 NPSR1 (0.50) NPSR1MAPTDHODHEPHX2PPARG
SCHEMBL8996281 0.83 NPSR1 (0.45) NPSR1MAPTDHODHEPHX2PPARG
SCHEMBL9065441 0.82 FPR2 (0.48) EPHX2CA12CA1CA2KIF11
SCHEMBL9068379 0.79 NPSR1 (0.49) NPSR1MAPTDHODHEPHX2PPARG
SCHEMBL8996214 0.78 KIF11 (0.45) NPSR1DHODHEPHX2CA12CA1
SCHEMBL3265463 0.78 KIF11 (0.45) NPSR1DHODHEPHX2CA12CA1
SCHEMBL1937094 0.78 KIF11 (0.45) NPSR1DHODHEPHX2CA12CA1
SCHEMBL8996223 0.77 KIF11 (0.47) EPHX2CA12CA1KIF11MMP2
SCHEMBL8996174 0.77 KIF11 (0.47) EPHX2CA12CA1KIF11MMP2
SCHEMBL10959630 0.77 NPSR1 (0.52) NPSR1MAPTDHODHEPHX2PPARG

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-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 — — EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 — — 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 NPSR1 2347/4885MAPT 4178/4885DHODH 176/4885

“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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