SCHEMBL21928331

SCHEMBL21928331

CC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BACE1 P56817 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
RAB9A P51151 1/20 0.39
TNNC1 P63316 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 2/20 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
SCHEMBL30315992 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1BACE1
SCHEMBL5918956 0.89 HDAC1 (0.41) MEN1KMT2AMAPTALDH1A1BACE1
SCHEMBL31568609 0.87 TDP1 (0.43) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL28600658 0.84 PKM (0.44) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL12797362 0.84 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL30935033 0.84 TGM2 (0.47)
SCHEMBL5919329 0.83 RORC (0.46) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL16599542 0.83 RORC (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL28882853 0.82 MAP2K1 (0.47) ALDH1A1CYP1A2CYP2C19NPSR1SMN1; SMN2
SCHEMBL16042474 0.82 CA12 (0.43) BACE1CA1CA9BACE2

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
US-11021486-B2 Coumarin-like cyclic compound as MEK inhibitor and use thereof CSTONE PHARMACEUTICALS (KY) 2021-06-01 US disclosed
EP-3643308-B1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2021-05-19 EP disclosed
US-20200148695-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2020-05-14 US disclosed
EP-3643308-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2020-04-29 EP 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 (2 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-11021486-B2 Coumarin-like cyclic compound as MEK inhibitor and use thereof MAP3K11, MAP3K15, MAP3K20 MEN1 635/4885KMT2A 4067/4885MAPT 186/4885
US-20200148695-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF MAP3K11, MAP3K15, MAP3K20 MEN1 635/4885KMT2A 4067/4885MAPT 186/4885

“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.