SCHEMBL12688981

SCHEMBL12688981

Cc1cccc(S(=O)(=O)C2(F)CCC(NC(=O)c3cc4cnccc4nc3C)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NAMPT P43490 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
EPHX2 P34913 1/20 0.34
KIF18A Q8NI77 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL12688903 0.86 ALDH1A1 (0.40) ALDH1A1KDM4CKMT2AMEN1L3MBTL1
SCHEMBL12544907 0.81 MAPT (0.39) MAPTNAMPTKMT2AMEN1PDE4B
SCHEMBL12544905 0.81 MAPT (0.39) MAPTNAMPTKMT2AMEN1PDE4B
SCHEMBL12688904 0.75 FLT1 (0.56) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL6205946 0.75 RAB9A (0.51) NPC1RAB9ALCKCSF1RKDR
SCHEMBL6205950 0.75 RAB9A (0.51) NPC1RAB9ALCKCSF1RKDR
SCHEMBL12689053 0.74 RAB9A (0.47) ALDH1A1MAPTRXFP1KMT2AMEN1
SCHEMBL12688683 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL12688905 0.74 KMT2A (0.54) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL12689058 0.74 CD38 (0.40) ALDH1A1KMT2AMEN1L3MBTL1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 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 (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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A ALDH1A1 588/4885MAPT 3524/4885KDM4C 3964/4885

“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.