SCHEMBL2537631

SCHEMBL2537631

O=C1NC2CSC(CCCCCBr)[C@H]2N1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.73
TDP1 Q9NUW8 6/20 0.65
MEN1 O00255 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
PKM P14618 1/20 0.65
IDE P14735 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
RIN1 Q13671 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL16141182 1.00 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2537630 1.00 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14822473 0.98 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10286412 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16141170 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14600958 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL22793211 0.84 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL6892316 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12050323 0.84 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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
EP-1185302-B1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2013-07-24 EP disclosed
US-8431121-B2 Specifically targeted catalytic antagonists and uses thereof DANISCO US INC. (US) 2013-04-30 US disclosed
US-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF DANISCO US, INC. (US) 2011-10-27 US disclosed
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. DAVIS BENJAMIN G (GB) 2004-09-02 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-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF ENGASE, GAA, DNPEP HLCS 1383/4885TDP1 3121/4885MEN1 3506/4885
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. ENGASE, GPR84, ADGRF1 HLCS 2073/4885TDP1 3376/4885MEN1 3333/4885

“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.