SCHEMBL4899037

SCHEMBL4899037

CCC(C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
PI4KB Q9UBF8 1/20 0.43
POLB P06746 1/20 0.42
PDE5A O76074 6/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
PTPRB P23467 1/20 0.38
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21819574 0.88 CCR2 (0.42) CCR2PI4KBPDE5ACA1CA2
SCHEMBL1199816 0.88 CCR2 (0.46) CCR2PI4KBPDE5ACA1CA2
SCHEMBL28334812 0.83 PI4KB (0.42) CCR2PI4KBCA1CA2SIRT1
SCHEMBL12878318 0.83 CCR2 (0.44) CCR2PI4KBCA1CA2SMN1; SMN2
SCHEMBL16021033 0.82 CA1 (0.44) CCR2PI4KBCA1CA2SIRT1
SCHEMBL22017475 0.82 PI4KB (0.42) CCR2PI4KBCA1CA2SIRT1
SCHEMBL11086559 0.82 CA1 (0.44) CCR2PI4KBCA1CA2SIRT1
SCHEMBL11204633 0.82 PI4KB (0.42) CCR2PI4KBCA1CA2SIRT1
SCHEMBL10508364 0.81 ABCB1 (0.40) CCR2PI4KBPOLBCA1CA2
SCHEMBL1796424 0.80 PI4KB (0.44) CCR2PI4KBCA1CA2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735434-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
US-5643879-A OLIGOPEPTIDE ENZYME INHIBITORS AS HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1997-07-01 US disclosed
US-5453488-A React amine protecting amino acid with amine, deprotect amide formed, couple with acid, deprotect dipeptidyl amide formed WARNER-LAMBERT COMPANY (US) 1995-09-26 US disclosed
EP-0399556-B1 Amino-substituted heterocycles as renin inhibitors WARNER LAMBERT CO (US) 1994-12-28 EP disclosed
US-5238923-A Treating hypertension, hyperaldosteronism, congestive heart failure WARNER-LAMBERT COMPANY (US) 1993-08-24 US disclosed
EP-0187500-B1 MONOBACTAMS THE UPJOHN COMPANY (US) 1993-04-28 EP disclosed
EP-0399556-A1 Amino-substituted heterocycles as renin inhibitors WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
EP-0187500-A1 Monobactams THE UPJOHN COMPANY (US) 1986-07-16 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 (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-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CCR2 272/4885PI4KB 1863/4885POLB 4822/4885

“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.