SCHEMBL8996293

SCHEMBL8996293

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 2/20 0.37
SLC1A3 P43003 1/20 0.36

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
SCHEMBL8996298 1.00 FPR2 (0.41) FPR2NOS3NOS1NOS2CA12
SCHEMBL3264823 0.88 HDAC1 (0.43) NOS3NOS1NOS2CA12CA1
SCHEMBL3264820 0.88 HDAC1 (0.43) NOS3NOS1NOS2CA12CA1
SCHEMBL8996267 0.88 HDAC1 (0.43) NOS3NOS1NOS2CA12CA1
SCHEMBL8996121 0.85 FPR2 (0.44) FPR2NOS3NOS1NOS2CA12
SCHEMBL8996120 0.85 FPR2 (0.44) FPR2NOS3NOS1NOS2CA12
SCHEMBL8996273 0.85 CA12 (0.42) CA12CA1MMP2MEN1KMT2A
SCHEMBL8996263 0.85 CA12 (0.42) CA12CA1MMP2MEN1KMT2A
SCHEMBL9001619 0.81 FPR2 (0.45) FPR2NOS3NOS1NOS2CA12
SCHEMBL8996266 0.81 FPR2 (0.45) FPR2NOS3NOS1NOS2CA12

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 FPR2 1106/4885NOS3 131/4885NOS1 142/4885

“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.