SCHEMBL9962909

SCHEMBL9962909

CCN(CC)S(=O)(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
PKM P14618 1/20 0.68
RECQL P46063 1/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 5/20 0.63
HPGD P15428 1/20 0.59
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA2 P00918 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
ABCC2 Q92887 1/20 0.56
SLC22A12 Q96S37 1/20 0.56
UGT1A7 Q9HAW7 1/20 0.56
SLC22A11 Q9NSA0 1/20 0.56

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
SCHEMBL13651238 0.86 CA9 (0.76) HTTSMN1; SMN2ALDH1A1NPSR1PKM
Etebenecid SCHEMBL1643610 0.85 SMN1; SMN2 (0.75) HTTSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL4638414 0.84 HTT (0.61) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL2492611 0.84 HTT (0.61) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL13545215 0.84 HTT (0.61) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL11534484 0.82 SMN1; SMN2 (0.62) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL4345155 0.81 HTT (0.58) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL13543237 0.81 HTT (0.66) HTTSMN1; SMN2ALDH1A1NPSR1PKM
SCHEMBL10154240 0.81 CA12 (0.77) HTTSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL7021479 0.80 SMN1; SMN2 (0.64) HTTSMN1; SMN2ALDH1A1NPSR1RECQL

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
US-8501242-B2 Methods and compositions for treating neoplasia UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-08-06 US disclosed
US-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION 2012-06-21 US disclosed
US-4137408-A BACTERICIDES, ANTIBIOTICS WARNER-LAMBERT (US) 1979-01-30 US disclosed
US-4101661-A PENICILLINS, CEPHALOSPORINS WARNER-LAMBERT (US) 1978-07-18 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-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA TYMS, UNG, TYMP HTT 2479/4885SMN1; SMN2 3011/4885ALDH1A1 941/4885

“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.