SCHEMBL2518907

SCHEMBL2518907

CS(=O)(=O)NCc1ccc(Br)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
CNR2 P34972 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38
CYP19A1 P11511 2/20 0.37

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
SCHEMBL24456289 0.78 NPC1 (0.48) KMT2ATSHRKDM4EPOLBRECQL
SCHEMBL2516047 0.77 PTPN1 (0.42) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2518817 0.77 SLC6A4 (0.47) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL1423298 0.74 KMT2A (0.59) KMT2AMEN1TSHRKDM4EPOLB
SCHEMBL6338974 0.74 KMT2A (0.70) KMT2AMEN1TSHRKDM4EPOLB
SCHEMBL2523918 0.73 MAOB (0.41) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2517263 0.73 TSHR (0.53) KMT2AHSP90AA1MEN1TSHRKDM4E
SCHEMBL11161631 0.73 CYP3A4 (0.41) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL12649826 0.72 TP53 (0.58) KMT2AMEN1TSHRKDM4EPOLB
SCHEMBL1679258 0.72 CYP19A1 (0.54) KMT2AMEN1TSHRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 KMT2A 2289/4885SLC6A2 223/4885SLC6A4 271/4885

“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.