SCHEMBL9068379

SCHEMBL9068379

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPT P10636 3/20 0.44
▸ FPR2 P25090 3/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ IDH1 O75874 2/20 0.41
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 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
SCHEMBL8996017 0.91 NPSR1 (0.50) NPSR1MAPTFPR2DHODHCA12
SCHEMBL7379537 0.83 ALDH1A1 (0.48) NPSR1MAPTDHODHKMT2AMEN1
SCHEMBL8996018 0.83 NPSR1 (0.50) NPSR1MAPTFPR2DHODHCA12
SCHEMBL8996013 0.83 NPSR1 (0.50) NPSR1MAPTFPR2DHODHCA12
SCHEMBL13611381 0.82 FPR2 (0.50) FPR2CA12CA1MMP2SLC1A3
SCHEMBL8996091 0.81 EEF2K (0.46) NPSR1MAPTFPR2DHODHPOLB
SCHEMBL8996065 0.81 EEF2K (0.46) NPSR1MAPTFPR2DHODHPOLB
SCHEMBL9065441 0.79 FPR2 (0.48) FPR2CA12CA1MMP2SLC1A3
SCHEMBL8996222 0.79 NPSR1 (0.49) NPSR1MAPTDHODHCA12CA1
SCHEMBL8996281 0.75 NPSR1 (0.45) NPSR1MAPTDHODHCA12CA1

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-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

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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