SCHEMBL8996064

SCHEMBL8996064

COC(=O)C[C@H](C)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
HDAC1 Q13547 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KIF11 P52732 1/20 0.40
PTPN1 P18031 1/20 0.40
TGM2 P21980 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
SCHEMBL3266891 1.00 CA12 (0.46) CA12CA1MMP2EPHX2MEN1
SCHEMBL3266893 1.00 CA12 (0.46) CA12CA1MMP2EPHX2MEN1
SCHEMBL13478809 0.84 CA12 (0.49) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996223 0.83 KIF11 (0.47) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996174 0.83 KIF11 (0.47) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996263 0.83 CA12 (0.42) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996273 0.83 CA12 (0.42) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996121 0.83 FPR2 (0.44) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996120 0.83 FPR2 (0.44) CA12CA1MMP2EPHX2MEN1
SCHEMBL3267002 0.82 CA12 (0.44) CA12CA1MMP2EPHX2MEN1

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 CA12 2615/4885CA1 1662/4885MMP2 3187/4885

“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.