SCHEMBL4876564

SCHEMBL4876564

COc1cccc([C@]2(NS(=O)(=O)NC(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.41
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4876580 1.00 BTK (0.41) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL4876658 0.80 NPC1 (0.46) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL4876647 0.80 NPC1 (0.46) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL4870756 0.79 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL4870766 0.79 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL4872111 0.78 BTK (0.45) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL4872108 0.78 BTK (0.45) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL4879446 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL4879450 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL4879458 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HDAC3HDAC1

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 BTK 1291/4885PIK3CA 2619/4885MTOR 1579/4885

“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.