SCHEMBL8996281

SCHEMBL8996281

CCOC(=O)C(CC(=O)NC(=O)OC)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPT P10636 4/20 0.41
▸ LDHA P00338 3/20 0.40
▸ LDHB P07195 3/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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 0.84 NPSR1 (0.50) NPSR1MAPTKMT2AEPHX2PPARG
SCHEMBL8996222 0.83 NPSR1 (0.49) NPSR1MAPTKMT2AEPHX2PPARG
SCHEMBL8996267 0.81 HDAC1 (0.43) NPSR1MAPTLDHALDHBKMT2A
SCHEMBL3264820 0.81 HDAC1 (0.43) NPSR1MAPTLDHALDHBKMT2A
SCHEMBL3264823 0.81 HDAC1 (0.43) NPSR1MAPTLDHALDHBKMT2A
SCHEMBL8996273 0.81 CA12 (0.42) NPSR1LDHALDHBKMT2AEPHX2
SCHEMBL8996263 0.81 CA12 (0.42) NPSR1LDHALDHBKMT2AEPHX2
SCHEMBL8996294 0.80 NPSR1 (0.46) NPSR1MAPTLDHALDHBKMT2A
SCHEMBL8996269 0.80 NPSR1 (0.46) NPSR1MAPTLDHALDHBKMT2A
SCHEMBL8996298 0.77 FPR2 (0.41) LDHALDHBKMT2AEPHX2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4178/4885LDHA 1835/4885

“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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