SCHEMBL4915360

SCHEMBL4915360

CCC(=O)c1cc(Nc2c(N[C@H](C)c3cccc(OC)c3)c(=O)c2=O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
KCNB1 Q14721 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCR2 P25025 3/20 0.41
CXCR1 P25024 2/20 0.41

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
SCHEMBL4911190 0.89 MAPKAPK2 (0.59) MAPKAPK2CXCR2CXCR1
SCHEMBL4915911 0.84 MAPKAPK2 (0.55) MAPKAPK2MEN1KMT2APOLBLMNA
SCHEMBL4914806 0.84 MAPKAPK2 (0.55) MAPKAPK2MEN1KMT2APOLBLMNA
SCHEMBL4916307 0.83 MAPKAPK2 (0.54) MAPKAPK2MEN1KMT2APOLBCCR6
SCHEMBL4911181 0.81 MAPKAPK2 (0.52) MAPKAPK2MEN1KMT2APOLBRAB9A
SCHEMBL4920663 0.80 EGFR (0.49) MEN1KMT2APOLBMTNR1AMTNR1B
SCHEMBL4914122 0.77 MAPKAPK2 (0.63) MAPKAPK2CXCR2CXCR1
SCHEMBL4919825 0.77 MAPKAPK2 (0.54) MAPKAPK2MEN1KMT2APOLBLMNA
SCHEMBL4916606 0.77 MAPKAPK2 (0.61) MAPKAPK2MEN1KMT2APOLB
SCHEMBL4598955 0.77 MAPKAPK2 (0.61) MAPKAPK2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US claimed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP claimed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 WO claimed
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US disclosed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP disclosed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 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-20080262096-A1 Squaric Acid Derivatives GLS, SGK1, PFKL MAPKAPK2 1309/4885MEN1 4395/4885KMT2A 2815/4885

“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.