SCHEMBL26566639

SCHEMBL26566639

CON(C)C(=O)c1ccc(Br)c(COSP(I)I)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL256775 0.83 MLYCD (0.41) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL21361324 0.80 MLYCD (0.43) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL17894222 0.79 MLYCD (0.42) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL25257215 0.77 MLYCD (0.36) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL25256351 0.75 MLYCD (0.38) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL30602390 0.72 ALDH1A1 (0.42) MEN1KMT2AHTTHPGDALDH1A1
SCHEMBL2272338 0.71 MLYCD (0.45) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL25652557 0.70 MLYCD (0.44) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL589423 0.70 MLYCD (0.48) MLYCDMEN1KMT2AHTTHPGD
SCHEMBL3706341 0.70 MEN1 (0.58) MLYCDMEN1KMT2AHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 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 (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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 MLYCD 1364/4885MEN1 72/4885KMT2A 4281/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 MLYCD 1364/4885MEN1 72/4885KMT2A 4281/4885

“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.