SCHEMBL5853140

SCHEMBL5853140

NC(C(=O)O)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A3 Q01959 1/20 0.65
LMNA P02545 3/20 0.64
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
SLC1A5 Q15758 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45

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
SCHEMBL20932823 0.90 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL27571968 0.87 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.83 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL12031732 0.83 TDP1 (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL27536848 0.82 KMT2A (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL15614364 0.81 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21012594 0.81 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5456496 0.80 NR4A1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9329147 0.80 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (3 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885TDP1 3364/4885SLC6A2 2451/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885TDP1 3364/4885SLC6A2 2451/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885TDP1 3364/4885SLC6A2 2451/4885

“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.