SCHEMBL4248683

SCHEMBL4248683

COC(=O)c1ccc(C(O)c2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
MAPT P10636 5/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48

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
SCHEMBL4408604 0.91 CA1 (0.66) CA1CA2CA12CA9CA14
SCHEMBL31409216 0.87 GAA (0.53) CA1CA2CA12CA9CA14
SCHEMBL42732 0.87 CA1 (0.64) CA1CA2CA12CA9CA14
SCHEMBL28405660 0.86 MAPT (0.55) CA1CA2CA12CA9CA14
SCHEMBL28108955 0.85 CA1 (0.61) CA1CA2CA12CA9CA14
Hydrochloric Acid SCHEMBL8359634 0.85 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL30251598 0.84 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL866718 0.84 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL1765758 0.82 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL28823597 0.82 CA1 (0.75) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CA1 4389/4885CA2 3871/4885CA12 3962/4885

“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.