SCHEMBL3363787

SCHEMBL3363787

COC(=O)C[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK14 Q16539 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CTSD P07339 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL3363791 1.00 MLYCD (0.52) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL3364258 0.87 L3MBTL1 (0.57) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL3364252 0.87 L3MBTL1 (0.57) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL3882782 0.84 MLYCD (0.56) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL13103578 0.84 MLYCD (0.59) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL2749290 0.83 MLYCD (0.55) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL6173159 0.82 HTR2A (0.57) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL5016361 0.81 MLYCD (0.55) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL12310890 0.80 HTR2A (0.55) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL15682777 0.80 NPC1 (0.59) MLYCDMEN1KMT2APLA2G1BCYP1A2

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 MLYCD 4649/4885MEN1 1348/4885KMT2A 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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