SCHEMBL4186835

SCHEMBL4186835

OC(O)(Cl)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
FDPS P14324 1/20 0.50
KCNA5 P22460 1/20 0.47
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.42
TRPA1 O75762 1/20 0.42
CALM1 P0DP23 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KIF11 P52732 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL7993397 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL30234244 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL3088174 0.80 CYP2C9 (0.52) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL10994301 0.78 CYP2C19 (0.50) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL324079 0.78 SLC6A2 (0.50) CYP1A2CYP2C9CYP2C19FDPSHIF1A
SCHEMBL28607388 0.78 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL10476772 0.78 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL1421007 0.78 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL8208882 0.77 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19FDPSKCNA5
SCHEMBL912792 0.77 CYP2C9 (0.67) CYP1A2CYP2C9CYP2C19FDPSKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539251-A4 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS GLYCOMIMETICS INC (US) 2009-02-25 EP disclosed
EP-1685145-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2006-08-02 EP disclosed
EP-1575619-A1 OLIGOSACCHARIDES AND CONJUGATES THEREOF FOR THE TREATEMENT OF PSEUDOMONAS BACTERIA INFECTION Glycomimetics, Inc. (US) 2005-09-21 EP disclosed
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins GLYCOMIMETICS, INC. (US) 2005-08-25 US disclosed
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 WO disclosed
EP-1539251-A2 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS Glycomimetics, Inc. (US) 2005-06-15 EP disclosed
US-20040219158-A1 Compositions and methods for diagnosis and therapy of medical conditions involving infection with pseudomonas bacteria GLYCOMIMETICS, INC. 2004-11-04 US disclosed
WO-2004058304-A1 OLIGOSACCHARIDES AND CONJUGATES THEREOF FOR THE TREATEMENT OF PSEUDOMONAS BACTERIA INFECTION GLYCOMIMETICS, INC. (US) 2004-07-15 WO disclosed
US-20040096396-A1 Compositions and methods for diagnosis and therapy of medical conditions involving angiogenesis GLYCOMIMETICS, INC. (US) 2004-05-20 US disclosed
WO-2004004636-A2 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND THERAPY OF MEDICAL CONDITIONS INVOLVING ANGIOGENESIS GLYCOMIMETICS, INC. (US) 2004-01-15 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-20040219158-A1 Compositions and methods for diagnosis and therapy of medical conditions involving infection with pseudomonas bacteria CFTR, CFB, SERPINB1 CYP1A2 4259/4885CYP2C9 4441/4885CYP2C19 3509/4885
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins SELE, SELP, SELPLG CYP1A2 2452/4885CYP2C9 3423/4885CYP2C19 3352/4885

“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.