SCHEMBL4826686

SCHEMBL4826686

O=C(Cc1cccnc1)ON1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.53
CYP19A1 P11511 5/20 0.51
CYP17A1 P05093 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL24636728 0.87 TBXAS1 (0.47) NAPRTCYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL30706206 0.87 TBXAS1 (0.47) NAPRTCYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL13196040 0.87 CYP3A4 (0.52) NAPRTCYP19A1CYP17A1CYP1A2CYP3A4
SCHEMBL31226087 0.85 WNT3A (0.49) CYP19A1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL1491215 0.82 CYP19A1 (0.48) NAPRTCYP19A1CYP17A1ALDH1A1MAPK1
SCHEMBL2450503 0.81 KMT2A (0.57) ALDH1A1MAPK1TSHRKMT2A
SCHEMBL9003061 0.81 RECQL (0.54) CYP1A2CYP3A4CYP2C9ALDH1A1GAA
SCHEMBL19658177 0.80 KMT2A (0.50) ALDH1A1MAPK1KMT2APOLB
SCHEMBL499428 0.79 KMT2A (0.46) ALDH1A1MAPK1TSHRKMT2A
SCHEMBL29538625 0.79 DPP4 (0.43) NAPRTCYP19A1CYP17A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371514-B2 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. (US) 2008-05-13 US disclosed
EP-1117685-B1 TREATMENT OF INFLAMMATORY DISEASE KING S COLLEGE LONDON (GB) 2006-12-06 EP disclosed
US-20060229234-A1 Peptide factor STEVENSON ROBERT D 2006-10-12 US disclosed
US-6995240-B1 Treatment of inflammatory disease KING'S COLLEGE LONDON (GB) 2006-02-07 US disclosed
US-20060014293-A1 Lock mass ions for use with derivatized peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. 2006-01-19 US disclosed
US-20060014210-A1 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. 2006-01-19 US disclosed
EP-1617224-A1 De novo sequencing using tandem mass spectrometry Agilent Technologies, Inc. (US) 2006-01-18 EP disclosed
EP-1617223-A2 Serial derivatization of peptides for \"de Novo\" sequencing using tandem mass spectrometry Agilent Technologies, Inc. (US) 2006-01-18 EP disclosed
US-20040213772-A1 Peptide factor STEVENSON ROBERT DUNCAN 2004-10-28 US disclosed
WO-2003104813-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2003-12-18 WO disclosed
US-6602519-B1 Peptide factor used as replacement to steroid therapy; neutrophil migration stimulating activity; treating conditions associated with an inflammatory response of septic shock THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2003-08-05 US disclosed
EP-1094833-B1 OXIDIZED THYMOSIN BETA 4 UNIV GLASGOW (GB) 2003-02-12 EP disclosed
EP-1117685-A1 TREATMENT OF INFLAMMATORY DISEASE KINGS COLLEGE LONDON (GB) 2001-07-25 EP disclosed
EP-1094833-A2 OXIDIZED THYMOSIN BETA 4 THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2001-05-02 EP disclosed
WO-2000021995-A1 TREATMENT OF INFLAMMATORY DISEASE KING'S COLLEGE LONDON (GB) 2000-04-20 WO disclosed
WO-1999049883-A2 OXIDIZED THYMOSIN BETA 4 THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 1999-10-07 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-20060014210-A1 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry PTMS, DNPEP, SRMS NAPRT 3258/4885CYP19A1 3249/4885CYP17A1 3367/4885

“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.