SCHEMBL8996017

SCHEMBL8996017

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 2/20 0.45
▸ FPR2 P25090 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ IDH1 O75874 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL9068379 0.91 NPSR1 (0.49) NPSR1MAPTFPR2EPHX2PPARG
SCHEMBL8996222 0.88 NPSR1 (0.49) NPSR1MAPTEPHX2PPARGCA12
SCHEMBL8996018 0.84 NPSR1 (0.50) NPSR1MAPTFPR2EPHX2PPARG
SCHEMBL8996013 0.84 NPSR1 (0.50) NPSR1MAPTFPR2EPHX2PPARG
SCHEMBL8996281 0.84 NPSR1 (0.45) NPSR1MAPTEPHX2PPARGCA12
SCHEMBL8996065 0.80 EEF2K (0.46) NPSR1MAPTFPR2NPC1RAB9A
SCHEMBL8996091 0.80 EEF2K (0.46) NPSR1MAPTFPR2NPC1RAB9A
SCHEMBL10959630 0.78 NPSR1 (0.52) NPSR1MAPTEPHX2PPARGSMN1; SMN2
SCHEMBL5348265 0.76 POLB (0.69) NPSR1MAPTFPR2EPHX2PPARG
SCHEMBL13395861 0.75 CA12 (0.49) MAPTNPC1RAB9ASMN1; SMN2CA12

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
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-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-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 4178/4885FPR2 1106/4885

“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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