SCHEMBL24279554

SCHEMBL24279554

NC(=O)CN(C(=O)CCCc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.56
ALOX5 P09917 4/20 0.47
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL24279551 0.93 MLYCD (0.65) MLYCDALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL934147 0.75 HDAC1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HDAC3
Hydrochloric Acid SCHEMBL30882461 0.74 HDAC1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL10769738 0.72 TDP1 (0.70) MLYCDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL25138775 0.71 HDAC1 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4HDAC3
Trifluoroacetic Acid SCHEMBL30882532 0.71 CES1 (0.60) MLYCDALOX5HDAC3MAPK1ADRA1A
Trifluoroacetic Acid SCHEMBL30483155 0.71 CES1 (0.60) MLYCDALOX5HDAC3MAPK1ADRA1A
SCHEMBL4558654 0.70 MLYCD (0.58) MLYCDALOX5HDAC3MAPK1ADRA1A
SCHEMBL24279572 0.70 RORC (0.56)
SCHEMBL9999187 0.70 MLYCD (0.63) MLYCDHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025845-A1 METASTASIS-INHIBITING COMPOSITION OF NOVEL METHYLSULFONAMIDE DERIVATIVE COMPOUND BIOMEDIGEN INC. (KR) 2024-01-25 US disclosed
US-20240025845-A1 METASTASIS-INHIBITING COMPOSITION OF NOVEL METHYLSULFONAMIDE DERIVATIVE COMPOUND BIOMEDIGEN INC. (KR) 2024-01-25 US disclosed
WO-2022050803-A1 METASTASIS-INHIBITING COMPOSITION OF NOVEL METHYLSULFONAMIDE DERIVATIVE COMPOUND 한국생명공학연구원 2022-03-10 WO 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-20240025845-A1 METASTASIS-INHIBITING COMPOSITION OF NOVEL METHYLSULFONAMIDE DERIVATIVE COMPOUND CSE1L, RCC1, PSPC1 MLYCD 2386/4885ALOX5 4831/4885PLAAT3 1902/4885

“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.