SCHEMBL8996302

SCHEMBL8996302

COC(=O)NC(=O)C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.47
▸ LDHB P07195 2/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ EEF2K O00418 1/20 0.46
▸ TACR1 P25103 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MTOR P42345 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KCNA5 P22460 1/20 0.39

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
SCHEMBL8996270 1.00 LDHA (0.47) LDHALDHBFNTAFNTBEEF2K
SCHEMBL8996273 0.81 CA12 (0.42) LDHALDHBFNTAFNTBMEN1
SCHEMBL8996263 0.81 CA12 (0.42) LDHALDHBFNTAFNTBMEN1
SCHEMBL8996304 0.80 EEF2K (0.51) LDHALDHBFNTAFNTBEEF2K
SCHEMBL8996250 0.80 EEF2K (0.51) LDHALDHBFNTAFNTBEEF2K
SCHEMBL8996091 0.80 EEF2K (0.46) LDHALDHBFNTAFNTBEEF2K
SCHEMBL8996065 0.80 EEF2K (0.46) LDHALDHBFNTAFNTBEEF2K
SCHEMBL3264820 0.79 HDAC1 (0.43) LDHALDHBFNTAFNTBMEN1
SCHEMBL3264823 0.79 HDAC1 (0.43) LDHALDHBFNTAFNTBMEN1
SCHEMBL8996267 0.79 HDAC1 (0.43) LDHALDHBFNTAFNTBMEN1

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 LDHA 1835/4885LDHB 1848/4885FNTA 649/4885

“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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