SCHEMBL3047715

SCHEMBL3047715

C=CCCCCCNC(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CA1 P00915 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL8205689 0.86 LMNA (0.50) KMT2AMEN1SMN1; SMN2LMNATDP1
SCHEMBL25738470 0.82 KMT2A (0.55) CA2KMT2AMEN1CA1SMN1; SMN2
SCHEMBL29617533 0.81 SMN1; SMN2 (0.70) CA2KMT2AMEN1CA1SMN1; SMN2
SCHEMBL25738414 0.79 KMT2A (0.57) CA2KMT2AMEN1CA1SMN1; SMN2
SCHEMBL14697031 0.74 CA2 (0.62) CA2KMT2AMEN1CA1CA9
SCHEMBL31267580 0.72 NPC1 (0.60) SMN1; SMN2LMNAHDAC3HDAC1NPC1
SCHEMBL8203219 0.72 CA2 (0.46) CA2CA1HDAC1CA9CA14
SCHEMBL13699216 0.72 CA2 (0.62) CA2KMT2AMEN1CA1HDAC3
SCHEMBL9828792 0.72 LMNA (0.67) CA2KMT2AMEN1CA1SMN1; SMN2
SCHEMBL7119077 0.71 HDAC6 (0.60) CA2KMT2AMEN1CA1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CA2 1716/4885KMT2A 3407/4885MEN1 2302/4885

“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.