SCHEMBL2255155

SCHEMBL2255155

CC(=O)N1CCc2ccc3c(c21)NC(=O)C3=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.50
NPSR1 Q6W5P4 1/20 0.41
CES1 P23141 2/20 0.38
LIG1 P18858 1/20 0.37
MAPT P10636 1/20 0.36
DAO P14920 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP6 P55212 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL8331926 0.84 NOTUM (0.46) NOTUMNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL8331929 0.84 NOTUM (0.46) NOTUMNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2257179 0.76 NOTUM (0.46) NOTUMCES1LIG1MAPTALDH1A1
SCHEMBL8328296 0.73 NOTUM (0.46) NOTUMCES1LIG1MAPTALDH1A1
SCHEMBL5893933 0.69 NOTUM (0.51) NOTUMMAPTALDH1A1SMN1; SMN2CYP11B2
SCHEMBL8326465 0.66 CES1 (0.40) CES1DAO
SCHEMBL7163398 0.65 NOTUM (0.69) NOTUMMAPTALDH1A1CYP11B2
SCHEMBL26777824 0.65 NOTUM (0.63) NOTUMCYP11B2
SCHEMBL19219782 0.65 NOTUM (0.63) NOTUMNPSR1ALDH1A1SMN1; SMN2
SCHEMBL12559558 0.65 NOTUM (0.65) NOTUMMAPTSMN1; SMN2MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
US-7465798-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465798-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465798-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale WYETH (US) 2008-05-29 US disclosed
US-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale WYETH (US) 2008-05-29 US disclosed
WO-2008043075-A2 COMPOSITIONS FOR THE TREATMENT OF SCLERITIS WYETH (US) 2008-04-10 WO disclosed
EP-1682510-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 EP disclosed
WO-2005047258-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 WO disclosed
US-20050101569-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 US disclosed
EP-0529636-B1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1999-06-23 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
WO-1993005043-A1 NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1993-03-18 WO disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP 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-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale SELL, VCAM1, SELE NOTUM 4025/4885NPSR1 348/4885CES1 641/4885
US-20090069564-A1 Methods and Compositions for Selectin Inhibition SELP, SELE, SELL NOTUM 2276/4885NPSR1 268/4885CES1 707/4885
US-20050101569-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL NOTUM 2276/4885NPSR1 268/4885CES1 707/4885

“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.