SCHEMBL4870766

SCHEMBL4870766

COc1cccc(C2(NS(C)(=O)=O)CCC(NC(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2B Q13224 3/20 0.40
ADAM17 P78536 1/20 0.40
NPY5R Q15761 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4870756 1.00 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL4879446 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL4879450 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL4879458 0.86 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHDAC3HDAC1
Hydrochloric Acid SCHEMBL4872098 0.81 KDM1A (0.46) ALDH1A1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL4872090 0.81 KDM1A (0.46) ALDH1A1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL4878371 0.81 HTR2C (0.43) ALDH1A1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL4878362 0.81 HTR2C (0.43) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4879310 0.80 NPC1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4879303 0.80 NPC1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1

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 ALDH1A1 2899/4885NPC1 239/4885RAB9A 4340/4885

“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.