SCHEMBL3198057

SCHEMBL3198057

CC(C)=CCCC(C)CC(NC(=O)OC(C)(C)C)C1CCC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CTSK P43235 2/20 0.32
HTT P42858 2/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL3198061 1.00 LMNA (0.36) LMNANFE2L2KMT2AMEN1HPGD
SCHEMBL3198066 1.00 LMNA (0.36) LMNANFE2L2KMT2AMEN1HPGD
SCHEMBL3198072 1.00 LMNA (0.36) LMNANFE2L2KMT2AMEN1HPGD
SCHEMBL3184303 0.91 CA1 (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3184315 0.91 CA1 (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3184308 0.91 CA1 (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3184297 0.91 CA1 (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3185341 0.90 REN (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3185355 0.90 REN (0.34) KMT2AHPGDGLACA1CA2
SCHEMBL3185350 0.90 REN (0.34) KMT2AHPGDGLACA1CA2

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-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 LMNA 1989/4885NFE2L2 4576/4885KMT2A 3031/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 LMNA 1989/4885NFE2L2 4576/4885KMT2A 3031/4885

“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.