SCHEMBL3364258

SCHEMBL3364258

CC(CC(=O)O)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MLYCD O95822 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ TACR1 P25103 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ FFAR1 O14842 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ BCHE P06276 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL3364252 1.00 L3MBTL1 (0.57) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL3363791 0.87 MLYCD (0.52) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL3363787 0.87 MLYCD (0.52) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL3882782 0.86 MLYCD (0.56) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL13103578 0.86 MLYCD (0.59) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL5016361 0.85 MLYCD (0.55) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL6173159 0.84 HTR2A (0.57) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL3369040 0.84 TACR1 (0.58) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL12310890 0.82 HTR2A (0.55) L3MBTL1MLYCDKMT2AMEN1PLA2G1B
SCHEMBL2749290 0.80 MLYCD (0.55) L3MBTL1MLYCDKMT2AMEN1PLA2G1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 — — 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 L3MBTL1 2790/4885MLYCD 4649/4885KMT2A 367/4885

“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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