SCHEMBL516615

SCHEMBL516615

CCOC(=O)C1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
GAA P10253 1/20 0.50
CCR8 P51685 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL3683615 0.81 KMT2A (0.69) KMT2ASMN1; SMN2ALDH1A1LMNADPP4
SCHEMBL6792419 0.78 KMT2A (0.88) KMT2APOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL12576943 0.78 SMN1; SMN2 (0.56) KMT2APOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL808377 0.77 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1GAAHDAC3
SCHEMBL23052423 0.76 KMT2A (0.66) KMT2APOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL6436237 0.75 PLAU (0.51) KMT2APOLBSMN1; SMN2ALDH1A1PLAU
SCHEMBL6436244 0.75 PLAU (0.51) KMT2APOLBSMN1; SMN2ALDH1A1PLAU
SCHEMBL15792419 0.75 F10 (0.55) KMT2ASMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL16187960 0.75 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL6791608 0.75 CYP2C19 (0.76) KMT2ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US claimed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP claimed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US claimed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO claimed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KMT2A 2537/4885POLB 1792/4885SMN1; SMN2 4695/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KMT2A 2537/4885POLB 1792/4885SMN1; SMN2 4695/4885

“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.