SCHEMBL1854482

SCHEMBL1854482

CCCCCCCCCCCCNC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
NAAA Q02083 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ROCK2 O75116 1/20 0.45
EPHX2 P34913 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC3 O15379 4/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARA Q07869 1/20 0.41
TLR2 O60603 1/20 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
SCHEMBL5551698 0.84 KMT2A (0.49) KMT2ASMN1; SMN2EPHX2KDM1AHDAC8
SCHEMBL7132449 0.83 KMT2A (0.75) KMT2ANAAAEPHX2TLR2
SCHEMBL14452747 0.83 EPHX2 (0.48) KMT2AEPHX2HDAC8
SCHEMBL4572008 0.82 KMT2A (0.73) KMT2AEPHX2TLR2
SCHEMBL3064762 0.81 EPHX2 (0.49) KMT2AROCK2EPHX2
SCHEMBL119110 0.81 KMT2A (0.53) KMT2AEPHX2NPC1RAB9A
SCHEMBL29679265 0.81 KMT2A (0.53) KMT2AEPHX2NPC1RAB9A
SCHEMBL29618948 0.81 KMT2A (0.53) KMT2AEPHX2NPC1RAB9A
SCHEMBL8236471 0.79 KMT2A (0.70) KMT2AEPHX2
SCHEMBL15372956 0.78 EPHX2 (0.52) KMT2AEPHX2

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 KMT2A 740/4885NAAA 1643/4885SMN1; SMN2 4878/4885

“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.