SCHEMBL2946356

SCHEMBL2946356

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 2/20 0.51
CAPN1 P07384 1/20 0.49
PTGS1 P23219 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GLS O94925 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL22979065 1.00 TDP1 (0.57) TDP1KMT2ACAPN1PTGS1KCNH2
SCHEMBL13165128 0.97 TDP1 (0.58) TDP1KMT2ACAPN1PTGS1KCNH2
SCHEMBL13165125 0.97 TDP1 (0.58) TDP1KMT2ACAPN1PTGS1KCNH2
SCHEMBL13112935 0.93 TDP1 (0.65) TDP1KMT2ACAPN1PTGS1KCNH2
SCHEMBL13112915 0.93 TDP1 (0.65) TDP1KMT2ACAPN1PTGS1KCNH2
SCHEMBL14737622 0.90 KMT2A (0.53) TDP1KMT2ACAPN1MEN1GAA
SCHEMBL5741383 0.90 KMT2A (0.53) TDP1KMT2ACAPN1MEN1GAA
SCHEMBL28969945 0.90 KMT2A (0.53) TDP1KMT2ACAPN1MEN1GAA
SCHEMBL25118682 0.88 CAPN1 (0.52) TDP1KMT2ACAPN1MEN1GAA
SCHEMBL10705302 0.88 CAPN1 (0.52) TDP1KMT2ACAPN1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835602-B2 Templates for nucleation and propagation of peptide secondary structure INDIAN INSTITUTE OF SCIENCE (IN) 2014-09-16 US disclosed
US-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 US disclosed
EP-1474146-B1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2008-08-27 EP disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 US disclosed
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors BULUSU MURTY (AT) 2005-06-02 US disclosed
EP-1474146-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS Novartis AG (CH) 2004-11-10 EP disclosed
WO-2003063871-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 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 (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-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors FCER2, SELP, FCGR2A TDP1 2493/4885KMT2A 602/4885CAPN1 3224/4885
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors FCER2, SELP, FCGR2A TDP1 2493/4885KMT2A 602/4885CAPN1 3224/4885

“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.